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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023582

2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Formula: C28H54GdN5O20  |  Mol. Weight: 938.00 g/mol

IUPAC: 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

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Overview

Molecular Formula C28H54GdN5O20
Molecular Weight 938.00 g/mol
Canonical SMILES CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy