Viewing Compound With Structures

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Compound Report Overview

Compound Name: GADOPENTETATE DIMEGLUMINE
Compound Identifier: 702993
Mol Structure 2D: 702993
Molecular Weight: 548
Formula: C14 H20 N3 O10 . Gd
Development Status: US FDA Approved
SMILES: [Gd+3].OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223082D 0 0.00000 0.00000 0^^ 28 26 0 0 0 999 V2000^ 3.9917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6042 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0208 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7417 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2792 -2.5417 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.5417 -2.4917 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.5792 -0.8542 0.0000 O 0 5 0 0 0 0 0 0 0^ 3.3292 -0.8542 0.0000 O 0 5 0 0 0 0 0 0 0^ 3.2792 -4.2292 0.0000 O 0 5 0 0 0 0 0 0 0^ 2.6042 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.6792 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8250 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.7667 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0208 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1500 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9917 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0625 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9167 -3.3667 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.9417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2792 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7500 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.4542 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6042 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7792 -2.3917 0.0000 Gd 0 1 0 0 0 0 0 0 0^ 2 16 1 0 0 0^ 3 21 1 0 0 0^ 4 19 1 0 0 0^ 5 18 1 0 0 0^ 6 17 1 0 0 0^ 7 22 1 0 0 0^ 8 2 1 0 0 0^ 9 1 1 0 0 0^ 10 3 1 0 0 0^ 11 3 2 0 0 0^ 12 1 2 0 0 0^ 13 2 2 0 0 0^ 14 5 2 0 0 0^ 15 4 2 0 0 0^ 16 7 1 0 0 0^ 17 1 1 0 0 0^ 18 6 1 0 0 0^ 19 7 1 0 0 0^ 20 26 1 0 0 0^ 21 20 1 0 0 0^ 22 27 1 0 0 0^ 23 6 1 0 0 0^ 24 4 1 0 0 0^ 25 5 1 0 0 0^ 26 23 1 0 0 0^ 27 20 1 0 0 0^M CHG 4 8 -1 9 -1 10 -1 28 3^M END^^
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