[(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
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![[(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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/034333c3c193424384acc4988370ae4c.png "[(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")
[(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
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CAS No:
62899-40-5
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Formula:
C23H29Cl2NO3
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Chemical 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
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Synonyms:
estromustine;estrone 17 beta-3-N-bis(2-chloroethyl)carbamate;Leo 271 f;Estromustine;62899-40-5;Estra-1,3,5(10)-trien-17-one, 3-[[[bis(2-chloroethyl)amino]carbonyl]oxy]-;(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate;Leo 271 f;3-(((Bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-one;Estrone 17beta-3-N-bis(2-chloroethyl)carbamate;UNII-2081L03TME;DTXSID40978673;2081L03TME;AKOS028109051;ZINC139825328;[(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;17-Oxoestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate;EoM
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CAS No:
[(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 Basic Attributes
438.4 g/mol
437.1524492 g/mol
2081L03TME
Computed Properties
Molecular Weight:438.4
XLogP3:4.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:437.1524492
Monoisotopic Mass:437.1524492
Topological Polar Surface Area:46.6
Heavy Atom Count:29
Complexity:623
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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