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N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide

N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide structure

CAS No:
134413-34-6
Formula:
C36H51NO4S
Chemical Name:
N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide
Synonyms:
N-BDEPPMA;N-butyl-2-(5-(4-(3,17-dihydroxyestra-1,3,5(10)-trien-11-yl)phenoxy)pentylthio)-N-methylacetamide;N-Bdeppma;134413-34-6;DTXSID60928610;N-Butyl-2-((5-(4-((11beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-11-yl)phenoxy)pentyl)thio)-N-methylacetamide;N-Butyl-2-(5-(4-(3,17-dihydroxyestra-1,3,5(10)-trien-11-yl)phenoxy)pentylthio)-N-methylacetamide;Acetamide, N-butyl-2-((5-(4-((11beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-11-yl)phenoxy)pentyl)thio)-N-methyl-;N-Butyl-2-[(5-{4-[3,17-dihydroxyestra-1(10),2,4-trien-11-yl]phenoxy}pentyl)sulfanyl]-N-methylacetamide

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N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide Basic Attributes

Molecular Weight：

593.9 g/mol

Exact Mass：

593.35388028 g/mol

Characteristics

PSA：

95.3 Å²

Drug Information

MeSH Entry Terms：

N-BDEPPMA

Computed Properties

Molecular Weight:593.9
XLogP3:7.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:593.35388028
Monoisotopic Mass:593.35388028
Topological Polar Surface Area:95.3
Heavy Atom Count:42
Complexity:848
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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