Structure via PubChem · Public domain (PubChem)
estramustine phosphate
Sign in to saveAlso known as Estracyt, estradiol normustine phosphate
chemical compound
Chemical data
- Formula
- C23H32Cl2NO6P
- Molecular weight
- 520.4 g/mol
- IUPAC name
- [(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
- InChIKey
- ADFOJJHRTBFFOF-RBRWEJTLSA-N
- XLogP
- 2.9
- Polar surface area
- 96.3 Ų
- H-bond donors
- 2
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 1981
- Admin. routes
- oral
- Indications
- prostate cancer
via ChEMBL · EBI
Wikidata facts
- Mass
- 519.134
- Has use
- medication
Show 4 more facts
- chemical formula
- C₂₃H₃₂Cl₂NO₆P
- isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
- canonical SMILES
- CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
- Commons category
- Estramustine phosphate
Sources (2)
via Wikidata · CC0