CHEBI:68643 - estramustine phosphate

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ChEBI Name estramustine phosphate
ChEBI ID CHEBI:68643
Definition A steroid phosphate which is the 17-O-phospho derivative of estramustine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H32Cl2NO6P
Net Charge 0
Average Mass 520.38300
Monoisotopic Mass 519.13443
InChI InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
InChIKey ADFOJJHRTBFFOF-RBRWEJTLSA-N
SMILES [H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP(O)(O)=O
ChEBI Ontology
Outgoing estramustine phosphate (CHEBI:68643) has functional parent estramustine (CHEBI:4868)
estramustine phosphate (CHEBI:68643) is a carbamate ester (CHEBI:23003)
estramustine phosphate (CHEBI:68643) is a organochlorine compound (CHEBI:36683)
estramustine phosphate (CHEBI:68643) is a steroid phosphate (CHEBI:36944)
estramustine phosphate (CHEBI:68643) is conjugate acid of estramustine phosphate(2−) (CHEBI:68644)
Incoming estramustine phosphate(2−) (CHEBI:68644) is conjugate base of estramustine phosphate (CHEBI:68643)
IUPAC Name
(17β)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate
Synonym Source
Estracyt ChemIDplus
Manual Xref Database
1066 DrugCentral
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Registry Numbers Types Sources
10313873 Reaxys Registry Number Reaxys
4891-15-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21706123 PubMed citation Europe PMC
22214417 PubMed citation Europe PMC
22323054 PubMed citation Europe PMC
Last Modified
22 February 2017