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

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sodium meclofenamate (anhydrous)

	Properties	Image
MNX_ID	MNXM161176
reference	chebi:6711
formula	C₁₄H₁₀Cl₂NNaO₂
global charge	0
mol weight	318.135
InChIKey	OGPIIGMUPMPMNT-UHFFFAOYSA-M
InChI	InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
SMILES	CC1=CC=C(Cl)C(NC2=C(C(=O)[O-])C=CC=C2)=C1Cl.[Na+]

MNX internals

InChI (mnx)	InChI=1/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1
SMILES (mnx)	[CH3:1][C:8]1=[C:12]([Cl:16])[C:13]([NH:17][C:11]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:9]2[C:14](=[O:18])[OH:19])=[C:10]([Cl:15])[CH:7]=[CH:6]1.[Na+:20]

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:6711 chebi:6711 OGPIIGMUPMPMNT-UHFFFAOYSA-M	sodium meclofenamate (anhydrous) Meclofenamate sodium Meclofenamic acid sodium salt N-(2,6-dichloro-m-tolyl)anthranilic acid sodium salt meclofenamate sodium (anh.) meclofenamate sodium (anhydrous) monosodium N-(2,6-dichloro-m-tolyl)anthranilate sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate sodium meclofenamate sodium meclofenamate (anh.)
seed.compound:cpd01920 seedM:cpd01920 kegg.compound:C02996 keggC:C02996 OGPIIGMUPMPMNT-UHFFFAOYSA-M	Meclofenamate sodium Meclofenamic acid sodium salt
kegg.drug:D08162 keggD:D08162 OGPIIGMUPMPMNT-UHFFFAOYSA-M	Meclofenamate sodium Meclomen (TN)
keggC:M_C02996 keggD:M_D08162 seedM:M_cpd01920	secondary/obsolete/fantasy identifier