7-(4'-Amino)phenylthioandrostenedione

(7R,8R,9S,10R,13S,14S)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Also Known As: 7alpha-Apta|UM 583|7-(4'-Amino)phenylthioandrostenedione|UM-583|7alpha-(p-Aminophenylthio)androstenedione|7alpha-(4'-Amino)phenylthioandrostenedione|7 alpha-(4'-amino)phenylthioandrostenedione|7alpha-(4'-Amino)phenylthio-4-androstene-3,17-dione|7-[(4-Aminophenyl)sulfanyl]androst-4-ene-3,17-dione|7alpha-[(4-Aminophenyl)thio]androst-4-ene-3,17-dione|7alpha-[(4-Aminophenyl)sulfanyl]androst-4-ene-3,17-dione|(7R,8R,9S,10R,13S,14S)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione|androst-4-ene-3,17-dione, 7-((4-aminophenyl)thio)-,(7|A)-|Androst-4-ene-3,17-dione, 7-((4-aminophenyl)thio)-, (7alpha)-|(3aS,3bR,4R,9aR,9bS,11aS)-4-[(4-aminophenyl)sulfanyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione

Molecular Formula	C25H31NO2S
Molecular Weight	409.20755 g/mol
LogP	3.8
Topological Polar Surface Area	85.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	409.20755
Monoisotopic Mass	409.20755
Heavy Atoms	29
Complexity	739.0

Chemical Identifiers

CAS Number	6822-83-9
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](CC4=CC(=O)CC[C@]34C)SC5=CC=C(C=C5)N
InChIKey	OFMCSMLOQKMMIX-RGJWXQDMSA-N