Malachite Green Oxalate
Product Overview
Product Code
TRC-M110400
CAS Number
2437-29-8
Product Format
Neat
Molecular Formula
2 C23 H25 N2 . C2 H2 O4 . 2 C2 H O4
Molecular Weight
927.00
Product Categories
TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Stains & dyes
Product Type
Metabolite, ContaminantAlternate CAS Number
1:1 salt: 13425-25-7; Free base: 10309-95-2; Chloride salt: 569-64-2
Documentation
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Product Information
Chemical Data
Analyte Name
Malachite green oxalate salt
CAS Number
2437-29-8
Molecular Formula
2 C23 H25 N2 . C2 H2 O4 . 2 C2 H O4
Molecular Weight
927.00
Accurate Mass
926.3738
SMILES
CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.OC(=O)C(=O)O.OC(=O)C(=O)[O-].OC(=O)C(=O)[O-]
InChI
InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2
IUPAC
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acid
Alternate CAS Number
1:1 salt: 13425-25-7; Free base: 10309-95-2; Chloride salt: 569-64-2
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Transport Restrictions
Air Excepted
Product Type
Metabolite; Contaminant
Product Format
Neat
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