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

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chlordiazepoxide

	Properties	Image
MNX_ID	MNXM46341
reference	chebi:3611
formula	C₁₆H₁₄ClN₃O
global charge	0
mol weight	299.761
InChIKey	ANTSCNMPPGJYLG-UHFFFAOYSA-N
InChI	InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
SMILES	CNC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=[N+]([O-])C1

MNX internals

InChI (mnx)	InChI=1/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
SMILES (mnx)	[CH3:1][N:18]=[C:15]1[CH2:10][N+:20]([O-:21])=[C:16]([C:11]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[C:13]2=[C:14]([CH:8]=[CH:7][C:12]([Cl:17])=[CH:9]2)[NH:19]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3611 chebi:3611 ANTSCNMPPGJYLG-UHFFFAOYSA-N	chlordiazepoxide 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide CDP Helogaphen Libritabs Multum Risolid Silibrin Tropium chlordiazepoxide base chlordiazepoxidum clopoxide methaminodiazepoxide
sabiork.compound:1302 sabiorkM:1302 ANTSCNMPPGJYLG-UHFFFAOYSA-N	CDP Cytidine 5'-diphosphate Cytidine diphosphate
kegg.drug:D00267 keggD:D00267 ANTSCNMPPGJYLG-UHFFFAOYSA-N	Chlordiazepoxide (JP18/USP/INN) Libritabs (TN)
hmdb:HMDB0014618 ANTSCNMPPGJYLG-UHFFFAOYSA-N	Chlordiazepoxide 7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide 7-chloro-2-(methylamino)-5-phenyl-3H-1,4lambda⁵-benzodiazepin-4-one CDP Chlordiazepoxide base Chlordiazepoxidum Clopoxide Helogaphen Libritabs Methaminodiazepoxide Multum Risolid Silibrin Tropium multum
hmdb:HMDB14618 keggD:M_D00267	secondary/obsolete/fantasy identifier