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

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benznidazole

	Properties	Image
MNX_ID	MNXM43533
reference	chebi:133833
formula	C₁₂H₁₂N₄O₃
global charge	0
mol weight	260.253
InChIKey	CULUWZNBISUWAS-UHFFFAOYSA-N
InChI	InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
SMILES	O=C(CN1C=CN=C1[N+](=O)[O-])NCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]([CH2:8][N:14]=[C:11]([CH2:9][N:15]2[CH:7]=[CH:6][N:13]=[C:12]2[N+:16]([O-:18])=[O:19])[OH:17])[CH:5]=[CH:3]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:133833 chebi:133833 CULUWZNBISUWAS-UHFFFAOYSA-N	benznidazole 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide N-Benzyl-2-nitroimidazol-1-yl-acetamide N-Benzyl-2-nitroimidazole-1-acetamide N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide benznidazol benznidazolum
kegg.drug:D02489 keggD:D02489 CULUWZNBISUWAS-UHFFFAOYSA-N	Benznidazole (USAN/INN) Radanil (TN) Rochagan (TN) benznidazole (TN)
hmdb:HMDB0248997 CULUWZNBISUWAS-UHFFFAOYSA-N	Benznidazole 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide 2-Nitroimidazole benznidazole Benznidazol Benznidazolum Benzonidazole N-Benzyl-2-nitroimidazol-1-yl-acetamide N-Benzyl-2-nitroimidazole-1-acetamide N-benzyl-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid Radanil Rochagan benznidazole
keggD:M_D02489	secondary/obsolete/fantasy identifier