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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026591

Purpurin 7 dimethyl ester

Formula: C36H38N4O7  |  Mol. Weight: 638.70 g/mol

IUPAC: 3-[(2S,3S,20E)-8-ethenyl-13-ethyl-20-(1-hydroxy-2-methoxy-2-oxoethylidene)-18-methoxycarbonyl-3,7,12,17-tetramethyl-3,22-dihydro-2H-porphyrin-2-yl]propanoic acid

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Overview

Molecular Formula C36H38N4O7
Molecular Weight 638.70 g/mol
Canonical SMILES CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C(C(=O)OC)O)C5=NC(=CC1=N2)C(=C5C(=O)OC)C)CCC(=O)O)C)C)C=C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy