Chlormadinone (INN)

Properties Image MNX_ID MNXM46379 reference keggD:D07670 formula C21H27ClO3 global charge 0 mol weight 362.897 InChIKey VUHJZBBCZGVNDZ-TTYLFXKOSA-N InChI InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1 SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1 SMILES (mnx) [CH3:1][C:12]([C@@:21]1([OH:25])[CH2:9][CH2:6][C@H:16]2[C@@H:14]3[CH:11]=[C:18]([Cl:22])[C:17]4=[CH:10][C:13](=[O:24])[CH2:4][CH2:7][C@:19]4([CH3:2])[C@H:15]3[CH2:5][CH2:8][C@@:20]21[CH3:3])=[O:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0