acetophenazine dimaleate

Properties Image MNX_ID MNXM102335 reference chebi:2402 formula C31H37N3O10S global charge 0 mol weight 643.715 InChIKey NUKVZKPNSKJGBK-SPIKMXEPSA-N InChI InChI=1S/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- SMILES CC(=O)C1=CC2=C(C=C1)SC1=C(C=CC=C1)N2CCCN1CCN(CCO)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O MNX internals InChI (mnx) InChI=1/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- SMILES (mnx) [CH3:1][C:18]([C:19]1=[CH:7][CH:8]=[C:23]2[C:21](=[CH:17]1)[N:26]([CH2:10][CH2:4][CH2:9][N:24]1[CH2:11][CH2:13][N:25]([CH2:15][CH2:16][OH:27])[CH2:14][CH2:12]1)[C:20]1=[CH:5][CH:2]=[CH:3][CH:6]=[C:22]1[S:29]2)=[O:28].[CH:30](=[CH:31]\[C:33](=[O:36])[OH:37])\[C:32](=[O:34])[OH:35].[CH:38](=[CH:39]\[C:41](=[O:44])[OH:45])\[C:40](=[O:42])[OH:43]

Parent-child relations graph

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