MRE

2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID

Created:	2007-08-23
Last modified:	2020-06-05

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2 entries where MRE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID
Synonyms	METHYL RED
Systematic Name (OpenEye OEToolkits)	2-(4-dimethylaminophenyl)diazenylbenzoic acid
Formula	C₁₅ H₁₅ N₃ O₂
Molecular Weight	269.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1
SMILES	CACTVS	3.341	CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O
Canonical SMILES	CACTVS	3.341	CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O
InChI	InChI	1.03	InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKey	InChI	1.03	CEQFOVLGLXCDCX-WUKNDPDISA-N

Drug Info: DrugBank

DrugBank ID	DB08209
Name	Methyl red
Groups	experimental
Synonyms	2-Carboxy-4'-(dimethylamino)azobenzene Methyl red 4'-(Dimethylamino)azobenzene-2-carboxylic acid 2-[(p-Dimethylamino)phenyl]azobenzoic acid 4-Dimethylamino-2'-carboxylazobenzene p-(Dimethylamino)azobenzene-o-carboxylic acid C.I. Acid Red 2 4'-Dimethylaminoazobenzene-2-carboxylic acid o-Methyl red 2-((4-Dimethylamino)phenylazo)benzoic acid o-((p-(Dimethylamino)phenyl)azo)benzoic acid
Categories	Coloring Agents Compounds used in a research, industrial, or household setting
CAS number	493-52-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
FMN-dependent NADH-azoreductase 1	MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682