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

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nafamostat

	Properties	Image
MNX_ID	MNXM107163
reference	chebi:135466
formula	C₁₉H₁₇N₅O₂
global charge	0
mol weight	347.378
InChIKey	MQQNFDZXWVTQEH-UHFFFAOYSA-N
InChI	InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
SMILES	N=C(N)NC1=CC=C(C(=O)OC2=CC3=C(C=C2)C=C(C(=N)N)C=C3)C=C1

MNX internals

InChI (mnx)	InChI=1/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
SMILES (mnx)	[CH:1]1=[CH:2][C:14]([C:17]([NH2:20])=[NH:21])=[CH:9][C:12]2=[CH:5][CH:8]=[C:16]([O:26][C:18]([C:11]3=[CH:4][CH:7]=[C:15]([NH:24][C:19](=[NH:22])[NH2:23])[CH:6]=[CH:3]3)=[O:25])[CH:10]=[C:13]12

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:135466 chebi:135466 MQQNFDZXWVTQEH-UHFFFAOYSA-N	nafamostat FUT-175 nafamostat HCl nafamostat dihydrochloride nafamostat hydrochloride nafamostat mesilate nafamostat mesylate nafamstat ronastat
sabiork.compound:28185 sabiorkM:28185 MQQNFDZXWVTQEH-UHFFFAOYSA-N	Nafamostat
kegg.drug:D08240 keggD:D08240 MQQNFDZXWVTQEH-UHFFFAOYSA-N	Nafamostat (INN)
hmdb:HMDB0255419 MQQNFDZXWVTQEH-UHFFFAOYSA-N	Nafamostat 6'-amidino-2-Naphthyl 4-guanidinobenzoate 6-Carbamimidoylnaphthalen-2-yl 4-carbamimidamidobenzoic acid 6-carbamimidoylnaphthalen-2-yl 4-carbamimidamidobenzoate FUT 175 FUT-175 Nafamostat dihydrochloride Nafamostat mesilate Nafamostat mesylate Nafamstat mesilate
keggD:M_D08240	secondary/obsolete/fantasy identifier