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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035898

Haematin

Formula: C34H34FeN4O5  |  Mol. Weight: 634.50 g/mol

IUPAC: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoate;iron(2+);hydrate

Overview

Molecular Formula C34H34FeN4O5
Molecular Weight 634.50 g/mol
Canonical SMILES CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1N2)C=C)C)C)CCC(=O)[O-])C(=C3C)CCC(=O)O)C=C.O.[Fe+2]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy