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Clozapine glucuronide

PropertiesImage
MNX_IDMNXM154884 Image of MNXM154884
referencechebi:193904
formulaC24H27ClN4O6
global charge0
mol weight502.955
InChIKeyYWWIDMPXCSUNRD-VZWAGXQNSA-N
InChIInChI=1S/C24H27ClN4O6/c1-27-8-10-28(11-9-27)22-14-4-2-3-5-16(14)29(17-7-6-13(25)12-15(17)26-22)23-20(32)18(30)19(31)21(35-23)24(33)34/h2-7,12,18-21,23,30-32H,8-11H2,1H3,(H,33,34)/t18-,19-,20+,21-,23+/m1/s1
SMILESCN1CCN(C2=Nc3cc(Cl)ccc3N([C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc32)CC1
MNX internals
InChI (mnx)InChI=1/C24H27ClN4O6/c1-27-8-10-28(11-9-27)22-14-4-2-3-5-16(14)29(17-7-6-13(25)12-15(17)26-22)23-20(32)18(30)19(31)21(35-23)24(33)34/h2-7,12,18-21,23,30-32H,8-11H2,1H3,(H,33,34)/t18-,19-,20+,21-,23+/m1/s1 Image of MNXM154884
SMILES (mnx)[CH3:1][N:27]1[CH2:8][CH2:10][N:28]([C:22]2=[N:26][c:15]3[cH:12][c:13]([Cl:25])[cH:6][cH:7][c:17]3[N:29]([C@@H:23]3[C@@H:20]([OH:32])[C@H:18]([OH:30])[C@@H:19]([OH:31])[C@H:21]([C:24]([OH:33])=[O:34])[O:35]3)[c:16]3[cH:5][cH:3][cH:2][cH:4][c:14]32)[CH2:11][CH2:9]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

CHEBI:193904
chebi:193904
YWWIDMPXCSUNRD-VZWAGXQNSA-N 		Clozapine glucuronide
(2R,3R,4R,5S,6S)-6-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060901
YWWIDMPXCSUNRD-VZWAGXQNSA-N 		Clozapine glucuronide
(2R,3R,4R,5S,6S)-6-[6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
4(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine
4(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine hydrochloride
4-(4-Chlorophenyl)-1-(4-(4--fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine

vmhM:clzp5ngluc
vmhM:clzp5ngluc
vmhmetabolite:clzp5ngluc
vmhmetabolite:clzp5ngluc
YWWIDMPXCSUNRD-VZWAGXQNSA-N 		clozapine 5-N-glucuronide

hmdb:HMDB60901
vmhM:M_clzp5ngluc 		secondary/obsolete/fantasy identifier