Viewing Compound With Structures

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Compound Report Overview

Compound Name: IOPENTOL
Compound Identifier: 706996
Mol Structure 2D: 706996
Molecular Weight: 835
Formula: C20 H28 I3 N3 O9
Development Status: Launched outside US, not listed by FDA
SMILES: COCC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223062D 0 0.00000 0.00000 0^^ 35 35 0 0 0 999 V2000^ -0.8750 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2500 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3750 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2500 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3750 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4958 -0.7167 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.2500 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4958 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3625 1.8083 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6125 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.1125 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8625 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0000 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1000 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.2500 -1.4292 0.0000 I 0 0 0 0 0 0 0 0 0^ 1.0000 0.7083 0.0000 I 0 0 0 0 0 0 0 0 0^ -1.4958 0.7083 0.0000 I 0 0 0 0 0 0 0 0 0^ -2.7208 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.9875 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2250 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6000 1.8083 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.8500 -0.3542 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.7208 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6000 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8500 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8833 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8375 1.8083 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0792 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9458 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.5625 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 4 2 0 0 0^ 3 5 1 0 0 0^ 4 1 1 0 0 0^ 5 1 2 0 0 0^ 6 3 2 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 3 1 0 0 0^ 10 7 1 0 0 0^ 11 8 1 0 0 0^ 12 9 1 0 0 0^ 13 7 1 0 0 0^ 14 8 2 0 0 0^ 15 9 2 0 0 0^ 16 10 2 0 0 0^ 17 5 1 0 0 0^ 18 6 1 0 0 0^ 19 4 1 0 0 0^ 20 13 1 0 0 0^ 21 11 1 0 0 0^ 22 12 1 0 0 0^ 23 21 1 0 0 0^ 24 22 1 0 0 0^ 25 20 1 0 0 0^ 26 23 1 0 0 0^ 27 24 1 0 0 0^ 28 10 1 0 0 0^ 29 33 1 0 0 0^ 30 32 1 0 0 0^ 31 34 1 0 0 0^ 32 24 1 0 0 0^ 33 23 1 0 0 0^ 34 20 1 0 0 0^ 35 31 1 0 0 0^ 6 2 1 0 0 0^M END^^
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