Melphalan hydrochloride

Properties Image MNX_ID MNXM157790 reference keggD:D08173 formula C13H19Cl3N2O2 global charge 0 mol weight 341.666 InChIKey OUUYBRCCFUEMLH-YDALLXLXSA-N InChI InChI=1S/C13H18Cl2N2O2.ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);1H/t12-;/m0./s1 SMILES Cl.N[C@@H](CC1=CC=C(N(CCCl)CCCl)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H18Cl2N2O2.ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);1H/t12-;/m0./s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([N:17]([CH2:7][CH2:5][Cl:14])[CH2:8][CH2:6][Cl:15])=[CH:4][CH:2]=[C:10]1[CH2:9][C@@H:12]([C:13](=[O:18])[OH:19])[NH2:16].[ClH:20]

Parent-child relations graph

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