Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl-
Basic information
- CAS
91893-37-7- Standard SMILES
CNS(=O)(=O)CCNC(=O)N(CCCl)N=O- InChIKey
SATDQZURIZSSKI-UHFFFAOYSA-N- Molecular formula
- C6H13ClN4O4S
- Average molar mass
- 272.71 g/mol
- Monoisotopic mass
- 272.0346038
Names & identifiers
- Preferred name
- Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl-
- IUPAC
- 1-(2-chloroethyl)-3-[2-(methylsulfamoyl)ethyl]-1-nitrosourea
Names & synonyms
Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl-1-(2-Chloroethyl)-3-(2-(methylaminosulfonyl)ethyl)-1-nitrosourea91893-37-72-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-N-methylethanesulfonamideDTXSID70238737RefChem:340158DTXCID20161228SCHEMBL10877925NS001162852-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-N-methylethane-1-sulfonamide
Database identifiers
- CAS
91893-37-7- PubChem CID
- 3086342
- DTXSID
DTXSID70238737- Nikkaji
- J292.165K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Chemistry & industry
Pharmacology
Metabolism/MetabolitesEthanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl- is a known human metabolite of tauromustine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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