Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

Aripiprazole M3

PropertiesImage
MNX_IDMNXM1593374 Image of MNXM1593374
referencevmhM:aripazm3
vmhM:aripazm3
formulaC23H26Cl2N3O6S
global charge-1
mol weight543.449
InChIKeyXGSPNQWLRVBZIN-UHFFFAOYSA-M
InChIInChI=1S/C23H27Cl2N3O6S/c24-22-19(6-7-20(23(22)25)34-35(30,31)32)28-12-10-27(11-13-28)9-1-2-14-33-17-5-3-16-4-8-21(29)26-18(16)15-17/h3,5-7,15H,1-2,4,8-14H2,(H,26,29)(H,30,31,32)/p-1
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4ccc(OS(=O)(=O)[O-])c(Cl)c4Cl)CC3)cc2N1
MNX internals
InChI (mnx)InChI=1/C23H27Cl2N3O6S/c24-22-19(6-7-20(23(22)25)34-35(30,31)32)28-12-10-27(11-13-28)9-1-2-14-33-17-5-3-16-4-8-21(29)26-18(16)15-17/h3,5-7,15H,1-2,4,8-14H2,(H,26,29)(H,30,31,32) Image of MNXM1593374
SMILES (mnx)[CH2:1]([CH2:2][CH2:14][O:33][c:17]1[cH:5][cH:3][c:16]2[c:18]([cH:15]1)[NH:26][C:21](=[O:29])[CH2:8][CH2:4]2)[CH2:9][N:27]1[CH2:10][CH2:12][N:28]([c:19]2[cH:6][cH:7][c:20]([O:34][S:35](=[O:30])(=[O:31])[OH:32])[c:23]([Cl:25])[c:22]2[Cl:24])[CH2:13][CH2:11]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:aripazm3
vmhM:aripazm3
vmhmetabolite:aripazm3
vmhmetabolite:aripazm3
XGSPNQWLRVBZIN-UHFFFAOYSA-M 		Aripiprazole M3

vmhM:M_aripazm3 		secondary/obsolete/fantasy identifier