Basic information
- CAS
54025-21-7- Standard SMILES
C[C@]12CC[C@@H](OC(=O)N(CCCl)N=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
FULFKXIGCUQZJE-WSKGSGNSSA-N- Molecular formula
- C22H33ClN2O4
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2128852
Names & identifiers
- Preferred name
- [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate
- IUPAC
- [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate
Names & synonyms
NSC26972054025-21-7DTXSID20313381NSC-26972017-Oxo-5alpha-androstan-3alpha-yl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
54025-21-7- PubChem CID
- 320802
- DTXSID
DTXSID20313381
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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