Viewing Compound With Structures

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Compound Report Overview

Compound Name: GADOTERIDOL
Compound Identifier: 706065
Mol Structure 2D: 706065
Molecular Weight: 559
Formula: C17 H29 N4 O7 . Gd
Development Status: US FDA Approved
SMILES: [Gd+3].CC(O)CN1CCN(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^^ 29 28 0 0 0 999 V2000^ -1.1833 -1.6667 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.1917 0.7000 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.1833 0.7000 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.1500 -1.6917 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.2292 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2708 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1917 3.0875 0.0000 O 0 5 0 0 0 0 0 0 0^ -3.2708 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0^ -1.1833 3.1208 0.0000 O 0 5 0 0 0 0 0 0 0^ -2.2208 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2292 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2458 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3000 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2458 3.0583 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2542 3.0875 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6083 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6000 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2542 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5875 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6000 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2125 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2125 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.2375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0875 -0.5000 0.0000 Gd 0 1 0 0 0 0 0 0 0^ 2 19 1 0 0 0^ 3 21 1 0 0 0^ 4 24 1 0 0 0^ 5 12 1 0 0 0^ 6 13 1 0 0 0^ 7 11 1 0 0 0^ 8 5 1 0 0 0^ 9 6 1 0 0 0^ 10 7 1 0 0 0^ 11 3 1 0 0 0^ 12 2 1 0 0 0^ 13 1 1 0 0 0^ 14 6 2 0 0 0^ 15 7 2 0 0 0^ 16 5 2 0 0 0^ 17 4 1 0 0 0^ 18 1 1 0 0 0^ 19 23 1 0 0 0^ 20 22 1 0 0 0^ 21 25 1 0 0 0^ 22 4 1 0 0 0^ 23 3 1 0 0 0^ 24 18 1 0 0 0^ 25 1 1 0 0 0^ 26 27 1 0 0 0^ 27 17 1 0 0 0^ 28 27 1 0 0 0^ 2 20 1 0 0 0^M CHG 4 8 -1 9 -1 10 -1 29 3^M END^^
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