Ripasudil hydrochloride hydrate (JAN)

Properties Image MNX_ID MNXM160859 reference keggD:D10463 formula C15H23ClFN3O4S global charge 0 mol weight 395.884 InChIKey CMDJNMACGABCKQ-XVSRHIFFSA-N InChI InChI=1S/C15H18FN3O2S.ClH.2H2O/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14;;;/h2,4-5,9-11,17H,3,6-8H2,1H3;1H;2*1H2/t11-;;;/m0.../s1 SMILES C[C@H]1CNCCCN1S(=O)(=O)C1=CC=CC2=C1C(F)=CN=C2.Cl.O.O MNX internals InChI (mnx) InChI=1/C15H18FN3O2S.ClH.2H2O/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14;;;/h2,4-5,9-11,17H,3,6-8H2,1H3;1H;2*1H2/t11-;;;/m0.../s1 SMILES (mnx) [CH3:1][C@H:11]1[CH2:8][NH:17][CH2:6][CH2:3][CH2:7][N:19]1[S:22]([C:14]1=[CH:5][CH:2]=[CH:4][C:12]2=[CH:9][N:18]=[CH:10][C:13]([F:16])=[C:15]21)(=[O:20])=[O:21].[ClH:23].[OH2:24].[OH2:25]

Parent-child relations graph

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