ESTRAMUSTINE PHOSPHATE
[(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
Molecular Identity
ESTRAMUSTINE PHOSPHATE
[(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
PubChem CID: 259329
Estramustine phosphate is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a carbamate ester, an organochlorine compound and a steroid phosphate. It is functionally related to an estramustine. It is a conjugate acid of an estramustine phosphate(2-).
2D Structure
Properties
C23H32Cl2NO6P
Molecular Formula
520.40
Molecular Weight
g/mol
519.1344
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
96.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
746
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ESTRAMUSTINE PHOSPHATE4891-15-0LS 299DTXSID7048667NSC-89199Estramustine 17-(dihydrogen phosphate)MUZ9585Y7BLS-299NSC 89199DTXCID4028593CHEBI:68643Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate(17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamateEstradiol, 3-[bis(2-chloroethyl)carbamate] dihydrogen phosphateRefChem:591269
Data from PubChem (NCBI)
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