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Basic information
- Standard SMILES
CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CC[C@@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1- InChIKey
IFJUINDAXYAPTO-YEMMQMLISA-N- Molecular formula
- C41H47Cl2NO6
- Average molar mass
- 720.7 g/mol
- Monoisotopic mass
- 719.2780436
Names & identifiers
- Preferred name
- [(17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
- IUPAC
- [(17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Names & synonyms
NS00122196
Database identifiers
- PubChem CID
- 53181
Properties
Computed structural propertiesFilling in
- XLogP
- 9.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
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Compound notes
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