[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate
Basic information
- CAS
2998-63-2- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)N(CCCl)CCCl- InChIKey
XTLLUVSNTBICAM-XLICDHNASA-N- Molecular formula
- C26H33Cl2NO6
- Average molar mass
- 526.4 g/mol
- Monoisotopic mass
- 525.1684932
Names & identifiers
- Preferred name
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] N,N-bis(2-chloroethyl)carbamate
Names & synonyms
NSC892022998-63-2NSC-89202
Database identifiers
- CAS
2998-63-2- PubChem CID
- 259332
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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