[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]n,N-bis(2-chloroethyl)carbamate

Name: [(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]n,N-bis(2-chloroethyl)carbamate
SKU: ACM62899405
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CAS

62899-40-5

Catalog Number

ACM62899405

Category

Other Products

Molecular Weight

438.387 g/mol

Molecular Formula

C₂₃H₂₉Cl₂NO₃

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Specification

Synonyms

Estromustine, Leo 271 f, CID124946, Estrone 17beta-3-N-bis(2-chloroethyl)carbamate, 3-(((Bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-one, 62899-40-5

IUPAC Name

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate

Canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

InChI Key

AXWYROHIFVWHMR-UGTOYMOASA-N

Exact Mass

437.15200

H-Bond Acceptor

H-Bond Donor