rivaroxaban

Properties Image MNX_ID MNXM81005 reference chebi:68579 formula C19H18ClN3O5S global charge 0 mol weight 435.889 InChIKey KGFYHTZWPPHNLQ-AWEZNQCLSA-N InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 SMILES O=C(NC[C@H]1CN(C2=CC=C(N3CCOCC3=O)C=C2)C(=O)O1)C1=CC=C(Cl)S1 MNX internals InChI (mnx) InChI=1/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:13]([N:23]2[CH2:10][C@H:14]([CH2:9][NH:21][C:18]([C:15]3=[CH:5][CH:6]=[C:16]([Cl:20])[S:29]3)=[O:25])[O:28][C:19]2=[O:26])=[CH:4][CH:2]=[C:12]1[N:22]1[CH2:7][CH2:8][O:27][CH2:11][C:17]1=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0