MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dexetimide

	Properties	Image
MNX_ID	MNXM49244
reference	chebi:135531
formula	C₂₃H₂₆N₂O₂
global charge	0
mol weight	362.473
InChIKey	LQQIVYSCPWCSSD-HSZRJFAPSA-N
InChI	InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1
SMILES	O=C1CC[C@@](C2=CC=CC=C2)(C2CCN(CC3=CC=CC=C3)CC2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:18]([CH2:17][N:25]2[CH2:15][CH2:12][CH:20]([C@:23]3([C:19]4=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]4)[CH2:14][CH2:11][C:21]([OH:26])=[N:24][C:22]3=[O:27])[CH2:13][CH2:16]2)[CH:8]=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135531 chebi:135531 LQQIVYSCPWCSSD-HSZRJFAPSA-N	dexetimide dexbenzetimide
kegg.drug:D07513 keggD:D07513 LQQIVYSCPWCSSD-UHFFFAOYSA-N	Benzetimide (INN) Spasmental [veterinary] (TN)
CHEBI:188883 chebi:188883 LQQIVYSCPWCSSD-UHFFFAOYSA-N	Benzetimide 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
hmdb:HMDB0248988 LQQIVYSCPWCSSD-UHFFFAOYSA-N	Benzetimide 3-(1-benzylpiperidin-4-yl)-6-hydroxy-3-phenyl-2,3,4,5-tetrahydropyridin-2-one Dexbenzetimid Dexbenzetimide Dexetimide Dextro benzetimide Dextro-benzetimide Janssen brand OF benzetimide hydrochloride Spasmental Spasmentral Tremblex benzetimide
kegg.drug:D03711 keggD:D03711 LQQIVYSCPWCSSD-HSZRJFAPSA-N	Dexetimide (USAN/INN) (+)-Benzetimide
keggD:M_D03711 keggD:M_D07513	secondary/obsolete/fantasy identifier