Products 2998-57-4

CAS 2998-57-4 appears in our catalog under these names: Estramustine, 96%, Estramustine, Estramustine/ 99.25% (existing batch purity), Estramustine, 99.25% ,, 99.25% ,, Estramustine (Standard). Offered by: Combi-blocks, TRC, Mikromol, TargetMol, GLPBio. Available pack sizes: 1g, 250mg, 500mg, 25mg, 100mg, 5mg, 10mg, 50mg.

Structural formula: {0} (CAS {1})

Estramustine is a carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid. It has a role as an alkylating agent, an antineoplastic agent and a radiation protective agent. It is a carbamate ester, a 17beta-hydroxy steroid and an organochlorine compound. It is functionally related to a 17beta-estradiol.

Source: ChEBI

Identity
Molecular formulaC23H31Cl2NO3
Molecular weight440.4 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
InChIKeyFRPJXPJMRWBBIH-RBRWEJTLSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

Computed by PubChem (NCBI)