Viewing Compound With Structures

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Compound Report Overview

Compound Name: GADOBUTROL
Compound Identifier: 703450
Mol Structure 2D: 703450
Molecular Weight: 605
Formula: C18 H31 N4 O9 . Gd
Development Status: Launched outside US, not listed by FDA
SMILES: [Gd+3].OCC(O)C(CO)N1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223172D 0 0.00000 0.00000 0^^ 32 31 0 0 0 999 V2000^ 0.6167 -0.9292 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.8125 -1.5917 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.4208 -0.9000 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.7125 1.2000 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.4208 1.2000 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.8167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3500 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2958 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7167 -1.0792 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1792 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4375 1.1708 0.0000 O 0 5 0 0 0 0 0 0 0^ -3.9000 -0.7625 0.0000 O 0 5 0 0 0 0 0 0 0^ -3.8333 1.0458 0.0000 O 0 5 0 0 0 0 0 0 0^ -2.2625 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6292 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2625 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8833 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8000 2.8958 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3542 2.9583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8583 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1667 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8833 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3208 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3208 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7167 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7417 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.5667 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 0.2083 0.0000 Gd 0 1 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 22 1 0 0 0^ 4 21 1 0 0 0^ 5 26 1 0 0 0^ 6 16 1 0 0 0^ 7 17 1 0 0 0^ 8 15 1 0 0 0^ 9 2 1 0 0 0^ 10 1 1 0 0 0^ 11 1 1 0 0 0^ 12 6 1 0 0 0^ 13 7 1 0 0 0^ 14 8 1 0 0 0^ 15 5 1 0 0 0^ 16 4 1 0 0 0^ 17 3 1 0 0 0^ 18 7 2 0 0 0^ 19 8 2 0 0 0^ 20 6 2 0 0 0^ 21 10 1 0 0 0^ 22 11 1 0 0 0^ 23 4 1 0 0 0^ 24 23 1 0 0 0^ 25 3 1 0 0 0^ 26 25 1 0 0 0^ 9 27 1 6 0 0^ 2 28 1 1 0 0^ 29 28 1 0 0 0^ 30 31 1 0 0 0^ 31 9 1 0 0 0^ 5 24 1 0 0 0^M CHG 4 12 -1 13 -1 14 -1 32 3^M END^^
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