Menadiol Sodium Diphosphate
PubChem CID
197855
Structure
Molecular Formula
Synonyms
- Menadiol sodium diphosphate hexahydrate
- 6700-42-1
- Caidrine
- Procoagulo
- Synkavite
Molecular Weight
530.17 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-09
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate;hexahydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H12O8P2.4Na.6H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;6*1H2/q;4*+1;;;;;;/p-4
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QIWDGSYHBCMXSI-UHFFFAOYSA-J
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H20Na4O14P2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6700-42-1
- 2-methyl-1,4-naphthohydroquinone
- 2-methyl-1,4-naphthoquinol
- dihydrovitamin K3
- menadiol
- menadiol diphosphate
- menadiol diphosphate ion
- menadiol diphosphate, monosodium salt
- menadiol diphosphate, tetrasodium salt
- menadiol, (-1)-ion
- menadiol, monopotassium salt
- naphtadon
- reduced menadione
- Synkavit
- Synkavite
- Menadiol sodium diphosphate hexahydrate
- 6700-42-1
- Caidrine
- Procoagulo
- Synkavite
- Synkayvite
- Thylokay
- Kativ
- Menadiol sodium diphosphate
- Synka-Vit
- Menadiol sodium phosphate hexahydrate
- UNII-2OVL75B30W
- 2OVL75B30W
- Menadiol sodium diphosphate [USP]
- menadiol sodium phosphate
- MENADIOLSODIUMPHOSPHATEHEXAHYDRATE
- DTXSID50217202
- Menadiol sodium diphosphate (USP)
- Synkavit
- tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate;hexahydrate
- 2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate) tetrasodium salt, hexahydrate
- 2-Methyl-1,4-naphthalenediol, bis(dihydrogen phosphate), tetrasodium salt, hexahydrate
- 1,4-Naphthalenediol, 2-methyl-, bis(dihydrogen phosphate), tetrasodium salt, hexahydrate
- Kipca water soluble
- Menadione sodium phosphate
- Sodium menadione diphosphate
- UNII-R2L46WE615
- Menadiol tetrasodium diphosphate
- DTXSID80156832
- EINECS 205-012-1
- Menadione diphosphate tetrasodium salt
- 1:4-Naphthaquinol-bisdisodium phosphate
- MENADIOL SODIUM DIPHOSPHATE (USP IMPURITY)
- MENADIOL SODIUM DIPHOSPHATE [USP IMPURITY]
- 2-Methyl-1,4-naphthaquinol bis(disodium phosphate)
- Tetrasodium 2-methyl-1,4-naphthalenediol diphosphate
- Tetrasodium 2-methyl-1,4-naphthylenebis(phosphate)
- Kappadione (TN)
- Tetrasodium 2-methyl-1,4-naphthohydroquinone diphosphate
- 1,4-Naphthalenediol, 2-methyl-, diphosphate, tetrasodium salt
- Tetrasodium 2-methyl-1,4-naphthahydroquinone diphosphoric acid ester
- Tetrasodium 2-methyl-1,4-naphthalenediol bis(dihydrogen phosphate)
- 2-Methyl-1,4-naphthohydroquinone diphosphoric acid ester tetrasodium salt
- 1,4-NAPHTHALENEDIOL, 2-METHYL-, BIS(DIHYDROGEN PHOSPHATE), TETRASODIUM
- 2-METHYL-1,4-NAPHTHALENEDIOL BIS(DIHYDROGEN PHOSPHATE) TETRASODIUM SALT
- Phosphoric acid, diester with 2-methyl-1,4-naphthalenediol, tetrasodium salt
- CHEMBL3989728
- DTXCID7079323
- DTXCID10139693
- MENADIOL SODIUM DIPHOSPHATE [VANDF]
- D04908
- MENADIOL SODIUM DIPHOSPHATE [ORANGE BOOK]
- Q27255266
- Sodium2-methylnaphthalene-1,4-diylbis(phosphate)hexahydrate
- Sodium 2-methylnaphthalene-1,4-diyl bis(phosphate) hexahydrate
- tetrasodium,(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate,hexahydrate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
530.17 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
529.99190643 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
529.99190643 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
151 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
31
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
434
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
11
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Human drug -> Active ingredient (MENADIOL SODIUM DIPHOSPHATE)
Human drug -> Discontinued
Use unspecified -> FDA Substance added to food
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Menadiol (has active moiety)
Substance
Used for (Technical Effect)
Use unspecified
Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients
- ChEMBLLICENSEAccess 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusMenadiol sodium diphosphate [USP]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006700421ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxMenadiol sodium diphosphate [USP]https://comptox.epa.gov/dashboard/DTXSID50217202CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless 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#linkingMENADIOL SODIUM DIPHOSPHATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2OVL75B30W
- Drugs@FDALICENSEUnless 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#linkingMENADIOL SODIUM DIPHOSPHATEhttps://www.accessdata.fda.gov/scripts/cder/daf/
- EU Clinical Trials Register
- FDA Orange BookLICENSEUnless 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
- FDA Substances Added to FoodLICENSEUnless 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#linkingMENADIOL SODIUM DIPHOSPHATEhttps://www.hfpappexternal.fda.gov/scripts/fdcc/index.cfm?set=FoodSubstances&id=MENADIOLSODIUMDIPHOSPHATE
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- NCI Thesaurus (NCIt)LICENSEUnless 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-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Wikidatamenadiol sodium diphosphate hexahydratehttps://www.wikidata.org/wiki/Q27255266
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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