4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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![4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ac7e9b5a120047dc8de1a7a9e06fe9b2.png "4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid")
4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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CAS No:
40068-35-7
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Formula:
C48H66Cl4N2O6
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Chemical Name:
4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
40068-35-7;NSC132351;3,12-bis[({4-[bis(2-chloroethyl)amino]phenyl}acetyl)oxy]cholan-24-oic acid;DTXSID30960527;NSC-132351
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CAS No:
4-[3,12-bis[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
908.9 g/mol
908.364548 g/mol
132351
Computed Properties
Molecular Weight:908.9
XLogP3:11.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:22
Exact Mass:908.364548
Monoisotopic Mass:906.367499
Topological Polar Surface Area:96.4
Heavy Atom Count:60
Complexity:1380
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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