1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, dimethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, dimethyl ester
• CAS No.: 150044-77-2
• Molecular Formula: C24H19N3O4
• DSSTox Substance ID: DTXSID80452826
• Nikkaji Number: J710.353K
• Wikidata: Q77571330
• Metabolomics Workbench ID: 102858
• ChEMBL ID: CHEMBL371472
• Mol file: 150044-77-2.mol

Synonyms:lycogarubin C

Chemical Property of 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, dimethyl ester

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 413.13755610
• Heavy Atom Count: 31
• Complexity: 632

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54

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