Basic information
- CAS
37388-11-7- Standard SMILES
CC12CCC(O)CC1CCC1C2CCC2(C)C(NC(=O)N(CCCl)N=O)CCC12- InChIKey
RVNKEMCEVCMAJM-UHFFFAOYSA-N- Molecular formula
- C22H36ClN3O3
- Average molar mass
- 426 g/mol
- Monoisotopic mass
- 425.2445197
Names & identifiers
- Preferred name
- 1-(2-chloroethyl)-3-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-nitrosourea
Names & synonyms
37388-11-7NSC118404DTXSID80958479NSC-118404N-(2-Chloroethyl)-N'-(3-hydroxyandrostan-17-yl)-N-nitrosocarbamimidic acid
Database identifiers
- CAS
37388-11-7- PubChem CID
- 273282
- DTXSID
DTXSID80958479
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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