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cyproterone acetate

PropertiesImage
MNX_IDMNXM48288 Image of MNXM48288
referencechebi:50743
formulaC24H29ClO4
global charge0
mol weight416.945
InChIKeyUWFYSQMTEOIJJG-FDTZYFLXSA-N
InChIInChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
SMILESCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 Image of MNXM48288
SMILES (mnx)[CH3:1][C:12]([C@@:24]1([O:29][C:13]([CH3:2])=[O:27])[CH2:8][CH2:6][C@H:16]2[C@@H:14]3[CH:10]=[C:20]([Cl:25])[C:19]4=[CH:11][C:21](=[O:28])[C@@H:15]5[CH2:9][C@@H:18]5[C@:23]4([CH3:4])[C@H:17]3[CH2:5][CH2:7][C@@:22]21[CH3:3])=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50743
chebi:50743
UWFYSQMTEOIJJG-FDTZYFLXSA-N 		cyproterone acetate
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate
(1beta,2beta)-17-(acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
1,2alpha-methylene-6-chloro-17alpha-acetoxy-4,6-pregnadiene-3,20-dione
1,2alpha-methylene-6-chloro-Delta(4,6)-pregnadien-17alpha-ol-3,20-dione acetate
1,2alpha-methylene-6-chloro-pregna-4,6-diene-3,20-dione 17alpha-acetate
17alpha-acetoxy-6-chloro-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione
6-chloro-1,2alpha-methylene-17alpha-hydroxy-Delta(6)-progesterone acetate
6-chloro-1,2alpha-methylene-6-dehydro-17alpha-hydroxyprogesterone acetate
6-chloro-17-hydroxy-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione acetate
6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate
Androcur
CYPROTERONE ACETATE
Cyprostat
Cyproterone 17-O-acetate
SH 714
acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl ester
cyproterone 17alpha-acetate

kegg.drug:D01368
keggD:D01368
UWFYSQMTEOIJJG-FDTZYFLXSA-N 		Cyproterone acetate (JAN/USAN)

chebi:31451
chebi:336019
chebi:47297
keggD:M_D01368 		secondary/obsolete/fantasy identifier