MesnaProduct ingredient for Coenzyme M

Name
Mesna
Drug Entry
Coenzyme M

Coenzyme M (commonly known by its salt form, Mesna) is a synthetic sulfhydryl (thiol) compound and is used for prophylaxis of Ifosfamide and cyclophosphamide induced hemorrhagic cystitis.2

Accession Number
DBSALT002380
Structure
Synonyms
Coenzyme M sodium salt / Mesnex / Sodium 2-mercaptoethane sulfonate / Sodium 2-mercaptoethanesulfonate / Sodium 2-mercaptoethanesulphonate / Sodium 2-sulphanylethanesulphonate
External IDs
D 7093 / D-7093 / NSC-113891
UNII
NR7O1405Q9
CAS Number
19767-45-4
Weight
Average: 164.17
Monoisotopic: 163.95778065
Chemical Formula
C2H5NaO3S2
InChI Key
XOGTZOOQQBDUSI-UHFFFAOYSA-M
InChI
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
IUPAC Name
sodium 2-sulfanylethane-1-sulfonate
SMILES
[Na+].[O-]S(=O)(=O)CCS
KEGG Drug
D01459
ChemSpider
27663
ChEBI
31824
ChEMBL
CHEMBL975
Wikipedia
Mesna
Predicted Properties
PropertyValueSource
Water Solubility13.3 mg/mLALOGPS
logP-0.01ALOGPS
logP-0.4Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)-1.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area57.2 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity28.01 m3·mol-1Chemaxon
Polarizability12.12 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon