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Magnesium Sulfate Heptahydrate

PubChem CID
24843
Structure
Magnesium Sulfate Heptahydrate_small.png
Molecular Formula
Synonyms
  • Magnesium sulfate heptahydrate
  • 10034-99-8
  • Epsom salt
  • magnesium sulphate heptahydrate
  • Magnesia sulphurica
Molecular Weight
246.48 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-06-24
  • Modify:
    2025-01-18
Description
Magnesium sulfate heptahydrate is a hydrate that is the heptahydrate form of magnesium sulfate. It has a role as a laxative and a cathartic. It is a magnesium salt and a hydrate. It contains a magnesium sulfate.
MAGNESIUM SULFATE is a small molecule drug with a maximum clinical trial phase of IV (across all indications) that was first approved in 1981 and has 7 approved and 57 investigational indications.
Epsomite is a mineral with formula of MgS6+O4·7H2O or Mg(SO4)·7H2O. The IMA symbol is Esm.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Magnesium Sulfate Heptahydrate.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;sulfate;heptahydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

WRUGWIBCXHJTDG-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

H14MgO11S
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

10034-99-8
14457-55-7

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 ChEBI ID

2.3.6 ChEMBL ID

2.3.7 DSSTox Substance ID

2.3.8 HMDB ID

2.3.9 KEGG ID

2.3.10 NCI Thesaurus Code

2.3.11 RXCUI

2.3.12 Wikidata

2.3.13 Wikipedia

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
246.48 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
246.0107241 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
246.0107241 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
95.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
62.2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
9
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

4 Spectral Information

4.1 IR Spectra

4.1.1 FTIR Spectra

Technique
KBr WAFER
Source of Sample
Mallinckrodt Inc., St. Louis, Missouri
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.1.2 ATR-IR Spectra

Source of Sample
Sigma-Aldrich
Catalog Number
230391
Copyright
Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.2 Raman Spectra

1 of 2
Instrument Name
Bio-Rad FTS 175C with Raman accessory
Technique
FT-Raman
Source of Sample
Mallinckrodt Inc., St. Louis, Missouri
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Catalog Number
230391
Copyright
Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Drug and Medication Information

7.1 Drug Indication

7.2 FDA National Drug Code Directory

7.3 Drug Labels

Drug and label
Active ingredient and drug
Homeopathic product and label

7.4 Clinical Trials

7.4.1 ClinicalTrials.gov

7.4.2 EU Clinical Trials Register

8 Minerals

1 of 3
Formula
MgSO4.7H2O
System
Orthorhombic
2 of 3
Name
epsomite
Link
3 of 3
Formula
MgS6+O4·7H2O or Mg(SO4)·7H2O
IMA Symbol
Esm

9 Pharmacology and Biochemistry

9.1 FDA Pharmacological Classification

1 of 3
Non-Proprietary Name
EPSOM SALT
Pharmacological Classes
Magnesium Ion Exchange Activity [MoA]; Osmotic Laxative [EPC]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Osmotic Activity [MoA]; Stimulation Large Intestine Fluid/Electrolyte Secretion [PE]; Calculi Dissolution Agent [EPC]; Increased Large Intestinal Motility [PE]; Inhibition Small Intestine Fluid/Electrolyte Absorption [PE]
2 of 3
Non-Proprietary Name
MAGNESIA SULPHURICA
Pharmacological Classes
Inhibition Small Intestine Fluid/Electrolyte Absorption [PE]; Stimulation Large Intestine Fluid/Electrolyte Secretion [PE]; Increased Large Intestinal Motility [PE]; Calculi Dissolution Agent [EPC]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Osmotic Activity [MoA]; Magnesium Ion Exchange Activity [MoA]; Osmotic Laxative [EPC]
3 of 3
Non-Proprietary Name
MAGNESIUM SULFATE HEPTAHYDRATE
Pharmacological Classes
Osmotic Laxative [EPC]; Magnesium Ion Exchange Activity [MoA]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Osmotic Activity [MoA]; Increased Large Intestinal Motility [PE]; Calculi Dissolution Agent [EPC]; Stimulation Large Intestine Fluid/Electrolyte Secretion [PE]; Inhibition Small Intestine Fluid/Electrolyte Absorption [PE]

10 Use and Manufacturing

10.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125

10.1.1 Use Classification

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle Green circle - The chemical has been verified to be of low concern

10.1.2 Household Products

Household & Commercial/Institutional Products

Information on 24 consumer products that contain Magnesium sulfate heptahydrate in the following categories is provided:

• Inside the Home

• Landscaping/Yard

• Personal Care

11 Safety and Hazards

11.1 Hazards Identification

11.1.1 GHS Classification

1 of 2
View All
Note
This chemical does not meet GHS hazard criteria for 100% (407 of 407) of all reports. Pictograms displayed are for < 0.1% (0 of 407) of reports that indicate hazard statements.
GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 407 of 407 companies. For more detailed information, please visit ECHA C&L website.

ECHA C&L Notifications Summary

Aggregated GHS information provided per 407 reports by companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 407 of 407 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 0 notifications provided by 0 of 407 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

11.1.2 Hazard Classes and Categories

Not Classified

11.1.3 EPA Safer Chemical

Chemical: Magnesium sulfate, heptahydrate

Green circle Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

11.2 Regulatory Information

New Zealand EPA Inventory of Chemical Status
Sulfuric acid magnesium salt (1:1), heptahydrate: Does not have an individual approval but may be used under an appropriate group standard

12 Toxicity

12.1 Toxicological Information

12.1.1 Acute Effects

13 Associated Disorders and Diseases

14 Literature

14.1 Consolidated References

14.2 Springer Nature References

14.3 Wiley References

14.4 Chemical Co-Occurrences in Literature

14.5 Chemical-Gene Co-Occurrences in Literature

14.6 Chemical-Disease Co-Occurrences in Literature

15 Patents

15.1 Depositor-Supplied Patent Identifiers

15.2 WIPO PATENTSCOPE

15.3 Chemical Co-Occurrences in Patents

15.4 Chemical-Disease Co-Occurrences in Patents

15.5 Chemical-Gene Co-Occurrences in Patents

16 Classification

16.1 NCI Thesaurus Tree

16.2 ChEBI Ontology

16.3 KEGG: Drug

16.4 KEGG: USP

16.5 KEGG: ATC

16.6 KEGG: JP15

16.7 KEGG: Risk Category of Japanese OTC Drugs

16.8 KEGG: OTC drugs

16.9 KEGG: Animal Drugs

16.10 KEGG: Drug Groups

16.11 KEGG: Drug Classes

16.12 EPA Safer Choice

16.13 ChemIDplus

16.14 UN GHS Classification

16.15 EPA CPDat Classification

16.16 NORMAN Suspect List Exchange Classification

16.17 EPA DSSTox Classification

16.18 Consumer Product Information Database Classification

16.19 EPA Substance Registry Services Tree

16.20 MolGenie Organic Chemistry Ontology

17 Information Sources

  1. Athena Minerals
    LICENSE
    Copyright (c) ATHENA - Pierre Perroud. All Rights Reserved
  2. Handbook of Mineralogy
  3. RRUFF Project
  4. ChEBI
  5. Open Targets
    LICENSE
    Datasets generated by the Open Targets Platform are freely available for download.
    https://platform-docs.opentargets.org/licence
  6. ChEMBL
    LICENSE
    Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).
    http://www.ebi.ac.uk/Information/termsofuse.html
  7. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  8. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  9. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
  10. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  11. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  12. ClinicalTrials.gov
    LICENSE
    The ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.
    https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
  13. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  14. DailyMed
  15. EPA Chemical and Products Database (CPDat)
  16. EPA Safer Choice
    EPA Safer Chemical Ingredients Classification
    https://www.epa.gov/saferchoice
  17. EU Clinical Trials Register
  18. Human Metabolome Database (HMDB)
    LICENSE
    HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.
    http://www.hmdb.ca/citing
    Magnesium sulfate heptahydrate
    http://www.hmdb.ca/metabolites/HMDB0303545
  19. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
    Therapeutic category of drugs in Japan
    http://www.genome.jp/kegg-bin/get_htext?br08301.keg
    Anatomical Therapeutic Chemical (ATC) classification
    http://www.genome.jp/kegg-bin/get_htext?br08303.keg
    Drugs listed in the Japanese Pharmacopoeia
    http://www.genome.jp/kegg-bin/get_htext?br08311.keg
    Risk category of Japanese OTC drugs
    http://www.genome.jp/kegg-bin/get_htext?br08312.keg
    Classification of Japanese OTC drugs
    http://www.genome.jp/kegg-bin/get_htext?br08313.keg
  20. National Drug Code (NDC) Directory
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  21. NCI Thesaurus (NCIt)
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  22. NLM RxNorm Terminology
    LICENSE
    The RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.
    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
    magnesium sulfate heptahydrate
    https://rxnav.nlm.nih.gov/id/rxnorm/236741
  23. SpectraBase
    MAGNESIUM SULFATE, HEPTAHYDRATE
    https://spectrabase.com/spectrum/APaFN7t2Zh7
    Magnesium sulfate heptahydrate
    https://spectrabase.com/spectrum/75iIaIZFAyX
    MAGNESIUM SULFATE, HEPTAHYDRATE
    https://spectrabase.com/spectrum/5Foa5oiSkWy
    Magnesium sulfate heptahydrate
    https://spectrabase.com/spectrum/K4Cho6yP9zj
  24. Springer Nature
  25. Wikidata
    magnesium sulfate heptahydrate
    https://www.wikidata.org/wiki/Q15628528
  26. Wikipedia
  27. Wiley
  28. PubChem
  29. GHS Classification (UNECE)
  30. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  31. EPA Substance Registry Services
  32. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  33. PATENTSCOPE (WIPO)
CONTENTS