[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Basic information
- CAS
29069-22-5- Standard SMILES
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
FFBBOMDOTMUACI-UHFFFAOYSA-N- Molecular formula
- C33H41Cl2NO6
- Average molar mass
- 618.6 g/mol
- Monoisotopic mass
- 617.2310934
Names & identifiers
- Preferred name
- [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
- IUPAC
- [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Names & synonyms
29069-22-5NSC134088DTXSID30951672NSC-13408811,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Database identifiers
- CAS
29069-22-5- PubChem CID
- 281328
- DTXSID
DTXSID30951672
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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