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Sodium;2-sulfanylethanesulfonic acid

PubChem CID
20545680
Structure
Sodium;2-sulfanylethanesulfonic acid_small.png
Sodium;2-sulfanylethanesulfonic acid_3D_Structure.png
Molecular Formula
Synonyms
  • sodium;2-sulfanylethanesulfonic acid
  • Mistabronco
  • NSC113891
  • SR-01000760524
  • Pharmakon1600-01502014
Molecular Weight
165.19 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2007-12-05
  • Modify:
    2024-12-28
Description
A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Sodium;2-sulfanylethanesulfonic acid.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-sulfanylethanesulfonic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

2.1.2 InChI

InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.3 InChIKey

XOGTZOOQQBDUSI-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.4 SMILES

C(CS(=O)(=O)O)S.[Na+]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)

2.2 Molecular Formula

C2H6NaO3S2+
Computed by PubChem 2.1 (PubChem release 2019.06.18)

2.3 Other Identifiers

2.3.1 CAS

19767-45-4

2.3.2 NSC Number

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • 2 Mercaptoethanesulfonate
  • 2-Mercaptoethanesulfonate
  • 2-Mercaptoethanesulphonate, Sodium
  • ASTA D 7093
  • ASTA-D 7093
  • ASTAD 7093
  • Coenzyme M
  • Ethanesulfonic acid, 2-mercapto-, monosodium salt
  • Mesna
  • MESNA cell
  • MESNA-cell
  • Mesnex
  • Mesnum
  • Mistabron
  • Mistabronco
  • Mitexan
  • Mucofluid
  • Sodium 2-Mercaptoethanesulphonate
  • UCB 3983
  • UCB-3983
  • UCB3983
  • Uromitexan
  • Ziken

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
165.19 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
164.96560568 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
164.96560568 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
63.8Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
1
Reference
Computed by PubChem
Property Name
Complexity
Property Value
118
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)

3.2 Chemical Classes

3.2.1 Drugs

3.2.1.1 Human Drugs
Breast Feeding; Lactation; Milk, Human; Protective Agents

5 Chemical Vendors

6 Drug and Medication Information

6.1 Drug Classes

Breast Feeding; Lactation; Milk, Human; Protective Agents

7 Pharmacology and Biochemistry

7.1 MeSH Pharmacological Classification

Protective Agents
Synthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. (See all compounds classified as Protective Agents.)

8 Toxicity

8.1 Toxicological Information

8.1.1 Effects During Pregnancy and Lactation

◉ Summary of Use during Lactation

No information is available on the clinical use of mesna during breastfeeding. Because it is used with toxic drugs such as ifosfamide, the manufacturer recommends to not breastfeed during treatment and for 1 week after the last dose of mesna or ifosfamide.

◉ Effects in Breastfed Infants

Relevant published information was not found as of the revision date.

◉ Effects on Lactation and Breastmilk

Relevant published information was not found as of the revision date.

9 Literature

9.1 Consolidated References

9.2 NLM Curated PubMed Citations

10 Biological Test Results

10.1 BioAssay Results

11 Classification

11.1 MeSH Tree

12 Information Sources

  1. Drugs and Lactation Database (LactMed)
  2. DTP/NCI
    LICENSE
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    https://www.cancer.gov/policies/copyright-reuse
  3. Medical Subject Headings (MeSH)
    LICENSE
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    https://www.nlm.nih.gov/copyright.html
  4. PubChem
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