Estramustin

Also known as 17β-estradiol 3-(bis(2-chloroethyl)carbamate), estradiol 3-(N,N-bis(2-chloroethyl)carbamate), 17beta-estradiol 3-(bis(2-chloroethyl)carbamate)

Arzneistoff

Chemical data

Formula: C23H31Cl2NO3
Molecular weight: 440.4 g/mol
IUPAC name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-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]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
InChIKey: FRPJXPJMRWBBIH-RBRWEJTLSA-N
XLogP: 4
Polar surface area: 49.8 Å²
H-bond donors: 1
H-bond acceptors: 3
Formal charge: 0

via PubChem

Drug data · ChEMBL

Max clinical phase: Phase 3
Molecule type: Small molecule
Indications: neoplasm, metastatic prostate cancer, prostate adenocarcinoma, breast cancer

via ChEMBL · EBI

Research

1,285 papers

via PubMed

Wikidata facts

Subclass of: 17α/β-estradiol
Mass: 439.168099
Has use: medication

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chemical formula: C₂₃H₃₁Cl₂NO₃
medical condition treated: prostate cancer
canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
Commons category: Estramustine

Sources (3)

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Article · Deutsch

Estramustin (Handelsnamen: Estracyt u. a., Hersteller: Pharmacia u. a.) ist ein Zytostatikum, in dem strukturell kombiniert ein Alkylanz (Alkylantien, N-Lost-Derivat) und Östrogen (Estradiol) vorliegt (dualer Wirkmechanismus).

Abstract from DBpedia / Wikipedia · CC BY-SA

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