 Home > Encyclopedia > methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate

methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate

methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate structure

CAS No:
82662-94-0
Formula:
C28H49NO4
Chemical Name:
methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
Synonyms:
Androstane-17-carboxylic acid, 2-ethoxy-3-hydroxy-11-((3-methylbutyl)amino)-, methyl ester, hydrochloride, (2beta,3alpha,5alpha,11alpha,17beta)-;CCI 22277;CCI-22277;methyl-2 beta-ethoxy-2 alpha-hydroxy-11 alpha-(3-methylbutyl-amino)-5 alpha-androstane-17 beta carboxylate;82662-94-0;Cci 22277;Cci-22277;DTXSID201002835;methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate;Methyl-2beta-ethoxy-2alpha-hydroxy-11alpha-(3-methylbutyl-amino)-5alpha-androstane-17beta carboxylate;A842291;Methyl 2-ethoxy-2-hydroxy-11-[(3-methylbutyl)amino]androstane-17-carboxylate;(2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester;Androstane-17-carboxylic acid, 2-ethoxy-3-hydroxy-11-((3-methylbutyl)amino)-, methyl ester, hydrochloride, (2beta,3alpha,5alpha,11alpha,17beta)-;methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-10,13-dimethyl-11-(3-methylbutylamino)-2-oxidanyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate

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methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Basic Attributes

Molecular Weight：

463.7 g/mol

Exact Mass：

463.36615904 g/mol

Characteristics

PSA：

67.8 Å²

Drug Information

MeSH Entry Terms：

Androstane-17-carboxylic acid, 2-ethoxy-3-hydroxy-11-((3-methylbutyl)amino)-, methyl ester, hydrochloride, (2beta,3alpha,5alpha,11alpha,17beta)-

Computed Properties

Molecular Weight:463.7
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:463.36615904
Monoisotopic Mass:463.36615904
Topological Polar Surface Area:67.8
Heavy Atom Count:33
Complexity:712
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl (2R,5S,8S,9S,10S,11R,13S,14S,17S)-2-ethoxy-2-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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