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

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albendazole

	Properties	Image
MNX_ID	MNXM3531
reference	chebi:16664
formula	C₁₂H₁₅N₃O₂S
global charge	0
mol weight	265.338
InChIKey	HXHWSAZORRCQMX-UHFFFAOYSA-N
InChI	InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES	CCCSC1=CC=C2NC(NC(=O)OC)=NC2=C1

MNX internals

InChI (mnx)	InChI=1/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES (mnx)	[CH3:1][CH2:3][CH2:6][S:18][C:8]1=[CH:7][C:10]2=[C:9]([CH:5]=[CH:4]1)[N:13]=[C:11]([N:15]=[C:12]([OH:16])[O:17][CH3:2])[NH:14]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16664 chebi:16664 HXHWSAZORRCQMX-UHFFFAOYSA-N	albendazole (5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester 5-(propylthio)-2-carbomethoxyaminobenzimidazole Albendazole Albenza Eskazole O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate Proftril Valbazen Zentel methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
sabiork.compound:5797 sabiorkM:5797 kegg.compound:C01779 keggC:C01779 HXHWSAZORRCQMX-UHFFFAOYSA-N	Albendazole
kegg.drug:D00134 keggD:D00134 HXHWSAZORRCQMX-UHFFFAOYSA-N	Albendazole (JAN/USP/INN) Albenza (TN)
hmdb:HMDB0014659 HXHWSAZORRCQMX-UHFFFAOYSA-N	Albendazole (5-(Propylthio)-1H-benzimidazol-2-yl)carbamate methyl ester (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester 5-(Propylthio)-2-carbomethoxyaminobenzimidazole Albendazole armstrong brand Albendazole diba brand Albendazole fustery brand Albendazole hormona brand Albendazole liferpal brand Albendazole monohydrochloride Albendazole noe-socopharm brand Albendazole pfizer brand Albendazole sanicoopa brand Albendazole valdecasas brand Albendoral Albenza Andazol Armstrong brand OF albendazole Bendapar Bilutac Diba brand OF albendazole Digezanol Disthelm Disthelm, mediamix V Endoplus Eskazole Fustery brand OF albendazole Gascop Hormona brand OF albendazole Liferpal brand OF albendazole Lurdex Mediamix V disthelm Metiazol Monohydrochloride, albendazole Noe socopharm brand OF albendazole Noe-socopharm brand OF albendazole O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamic acid Pfizer brand OF albendazole Proftril SK And F 62979 SK And F-62979 SK And F62979 Sanicoopa brand OF albendazole SmithKline beecham brand OF albendazole V Disthelm, mediamix Valbazen Valdecasas brand OF albendazole Zentel albendazol methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
seed.compound:cpd01227 seedM:cpd01227 HXHWSAZORRCQMX-UHFFFAOYSA-N	Albendazole albendazole methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
metacyc.compound:ALBENDAZOLE metacycM:ALBENDAZOLE HXHWSAZORRCQMX-UHFFFAOYSA-N	albendazole methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
hmdb:HMDB14659 chebi:13751 chebi:22286 chebi:2545 keggC:M_C01779 keggD:M_D00134 seedM:M_cpd01227	secondary/obsolete/fantasy identifier