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

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clotrimazole

	Properties	Image
MNX_ID	MNXM47327
reference	chebi:3764
formula	C₂₂H₁₇ClN₂
global charge	0
mol weight	344.845
InChIKey	VNFPBHJOKIVQEB-UHFFFAOYSA-N
InChI	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
SMILES	ClC1=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)N2C=CN=C2)C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
SMILES (mnx)	[CH:1]1=[CH:3][CH:9]=[C:18]([C:22]([C:19]2=[CH:11][CH:5]=[CH:2][CH:6]=[CH:12]2)([C:20]2=[CH:13][CH:7]=[CH:8][CH:14]=[C:21]2[Cl:23])[N:25]2[CH:16]=[CH:15][N:24]=[CH:17]2)[CH:10]=[CH:4]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:3764 chebi:3764 VNFPBHJOKIVQEB-UHFFFAOYSA-N	clotrimazole 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole 1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole 1-(o-Chlorotrityl)imidazole 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole Clotrimazole Lotrimin (TN) Mycelex (TN)
sabiork.compound:9045 sabiorkM:9045 kegg.compound:C06922 keggC:C06922 VNFPBHJOKIVQEB-UHFFFAOYSA-N	Clotrimazole
kegg.drug:D00282 keggD:D00282 VNFPBHJOKIVQEB-UHFFFAOYSA-N	Clotrimazole (JP18/USP/INN) ABBR CLT Lotrimin (TN) Mycelex (TN)
hmdb:HMDB0001922 VNFPBHJOKIVQEB-UHFFFAOYSA-N	Clotrimazole (Chlorotrityl)imidazole 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole 1-(O-Chloro-a,a-diphenylbenzyl)imidazole 1-(O-Chloro-alpha,alpha-diphenylbenzyl)imidazole 1-(O-Chlorotrityl)imidazole 1-(a-(2-Chlorophenyl)benzhydryl)imidazole 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole 1-(alpha-(2-chlorophenyl)benzhydryl)imidazole 1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole Bay b 5097 Bayer brand 1 OF clotrimazole Bayer brand 2 OF clotrimazole Canesten Canesten 1-day cream combi-pak Canesten 1-day therapy Canesten 3-day therapy Canesten 6-day therapy Canesten combi-pak 1-day therapy Canesten combi-pak 3-day therapy Canesten cream Canesten solution Canestine Chlotrimazole Clotrimaderm Clotrimaderm cream Clotrimazol Clotrimazole schering brand Clotrimazolum Desamix F Empecid FB b 5097 Fem care FemCare Gyne lotrimin Gyne-lotrimin Gyne-lotrimin 3 Gyne-lotrimin 3 combination pack Gyne-lotrimin combination pack Gyne-lotrimin3 Gyne-lotrimin3 combination pack Gynix Kanesten Klotrimazole Lopac-C-6019 Lotrimax Lotrimin Lotrimin af Lotrimin af cream Lotrimin af jock-itch cream Lotrimin af lotion Lotrimin af solution Lotrimin cream Lotrimin lotion Lotrimin solution Lotrisone Monobaycuten Mycelax Mycelex Mycelex 7 Mycelex cream Mycelex g Mycelex otc Mycelex solution Mycelex troches Mycelex twin pack Mycelex-7 Mycelex-7 combination pack Mycelex-g Mycelex: mycosporinrimazole Myclo cream Myclo solution Myclo spray solution Myclo-gyne Mycosporin Mykosporin Neo-zol cream Otomax Pedisafe Prestwick_120 Rimazole Schering brand OF clotrimazole Tibatin Trimysten Trivagizole 3 Veltrim clotrimazole mono-Baycuten
seed.compound:cpd04263 seedM:cpd04263 VNFPBHJOKIVQEB-UHFFFAOYSA-N	Clotrimazole chlortrimazole clotrimazol clotrimazole clotrimeizol empecid lotrimin mycosporin
metacyc.compound:CPD-8926 metacycM:CPD-8926 VNFPBHJOKIVQEB-UHFFFAOYSA-N	clotrimazol chlortrimazole clotrimazole clotrimeizol empecid lotrimin mycosporin
envipath:...ddeb3e2f19eb envipathM:...ddeb3e2f19eb VNFPBHJOKIVQEB-UHFFFAOYSA-N	compound 0047843
hmdb:HMDB01922 keggC:M_C06922 keggD:M_D00282 seedM:M_cpd04263	secondary/obsolete/fantasy identifier