1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
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![1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7540ac7cb0584889970c6b2354f9fd7e.png "1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea")
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
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CAS No:
13909-15-4
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Formula:
C30H52ClN3O2
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Chemical Name:
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
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Synonyms:
13909-15-4;NSC95440;DTXSID90930342;NSC-95440;N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid
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CAS No:
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea Basic Attributes
522.2 g/mol
521.3748056 g/mol
95440
Computed Properties
Molecular Weight:522.2
XLogP3:10.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:521.3748056
Monoisotopic Mass:521.3748056
Topological Polar Surface Area:61.8
Heavy Atom Count:36
Complexity:777
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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