[(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Basic information
- CAS
6938-20-1- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1- InChIKey
IRVJJHLWASAGOV-AMKJHPCNSA-N- Molecular formula
- C26H39Cl2NO3
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 483.2306995
Names & identifiers
- Preferred name
- [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [(3S,8S,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)carbamoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
NSC53913NSC-53913
Database identifiers
- CAS
6938-20-1- PubChem CID
- 243762
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 764
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Compound notes
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