(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) N-(2-chloroethyl)carbamate
Basic information
- CAS
54025-51-3- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)NCCCl)CCC12- InChIKey
LJHUDDBHGJTFLM-UHFFFAOYSA-N- Molecular formula
- C22H32ClNO3
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2070716
Names & identifiers
- Preferred name
- (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) N-(2-chloroethyl)carbamate
- IUPAC
- (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) N-(2-chloroethyl)carbamate
Names & synonyms
54025-51-3NSC147075DTXSID80968856NSC-1470753-Oxoandrost-4-en-17-yl hydrogen (2-chloroethyl)carbonimidate
Database identifiers
- CAS
54025-51-3- PubChem CID
- 287300
- DTXSID
DTXSID80968856
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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