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

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cyproheptadine

	Properties	Image
MNX_ID	MNXM48283
reference	chebi:4046
formula	C₂₁H₂₁N
global charge	0
mol weight	287.406
InChIKey	JJCFRYNCJDLXIK-UHFFFAOYSA-N
InChI	InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
SMILES	CN1CCC(=C2C3=C(C=CC=C3)C=CC3=C2C=CC=C3)CC1

MNX internals

InChI (mnx)	InChI=1/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
SMILES (mnx)	[CH3:1][N:22]1[CH2:14][CH2:12][C:18](=[C:21]2[C:19]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:16]3[CH:10]=[CH:11][C:17]3=[CH:7][CH:3]=[CH:5][CH:9]=[C:20]32)[CH2:13][CH2:15]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4046 chebi:4046 JJCFRYNCJDLXIK-UHFFFAOYSA-N	cyproheptadine 1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine 1-methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine 4-(5-dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine 4-Dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine 5-(1-methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene CYPROHEPTADINE Cyproheptadine ciproheptadina cyproheptadinum
seed.compound:cpd04271 seedM:cpd04271 sabiork.compound:24954 sabiorkM:24954 kegg.compound:C06935 keggC:C06935 JJCFRYNCJDLXIK-UHFFFAOYSA-N JJCFRYNCJDLXIK-UHFFFAOYSA-O	Cyproheptadine
kegg.drug:D07765 keggD:D07765 JJCFRYNCJDLXIK-UHFFFAOYSA-N	Cyproheptadine (INN) Ciprovit (TN)
hmdb:HMDB0014578 JJCFRYNCJDLXIK-UHFFFAOYSA-N	Cyproheptadine 1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine 1-Methyl-4-(5H-dibenzo(a,D)cycloheptenylidene)piperidine 1-methyl-4-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine 4-(5-Dibenzo(a,D)cyclohepten-5-ylidine)-1-methylpiperidine 4-(5H-Dibenzo(a,D)cyclohepten-5-ylidene)-1-methylpiperidine 4-Dibenzo[a,D]cyclohepten-5-ylidene-1-methyl-piperidine 5-(1-Methylpiperidylidene-4)-5H-dibenzo(a,D)cyclopheptene Antergan Ciproheptadina Ciprovit Cyproheptadinum Dihexazin Periactin Peritol Viternum periactin
hmdb:HMDB14578 chebi:111005 chebi:605605 keggC:M_C06935 keggD:M_D07765 seedM:M_cpd04271	secondary/obsolete/fantasy identifier