Viewing Compound With Structures

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Compound Report Overview

Compound Name: TRIDIHEXETHYL IODIDE
Compound Identifier: 705662
Mol Structure 2D: 705662
Molecular Weight: 445
Formula: C21 H36 N O . I
Development Status: Preclinical
SMILES: [I-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222592D 0 0.00000 0.00000 0^^ 24 24 0 0 0 999 V2000^ -0.1625 1.8583 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.1000 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8875 -1.1917 0.0000 N 0 3 3 0 0 0 0 0 0^ -1.5458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3375 2.0625 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.4708 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6625 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2042 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9750 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1000 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1875 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3792 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0708 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7042 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4792 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2625 -1.6167 0.0000 I 0 5 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 1 0 0 0^ 4 1 1 0 0 0^ 5 2 1 0 0 0^ 6 1 1 0 0 0^ 7 1 1 0 0 0^ 8 3 1 0 0 0^ 9 3 1 0 0 0^ 10 3 1 0 0 0^ 11 4 1 0 0 0^ 12 4 2 0 0 0^ 13 6 1 0 0 0^ 14 6 1 0 0 0^ 15 8 1 0 0 0^ 16 9 1 0 0 0^ 17 10 1 0 0 0^ 18 11 2 0 0 0^ 19 12 1 0 0 0^ 20 13 1 0 0 0^ 21 14 1 0 0 0^ 22 21 1 0 0 0^ 23 19 2 0 0 0^ 22 20 1 0 0 0^ 23 18 1 0 0 0^M CHG 2 3 1 24 -1^M END^^
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