Viewing Compound With Structures

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Compound Report Overview

Compound Name: TRETHINIUM TOSILATE
Compound Identifier: 704922
Mol Structure 2D: 704922
Molecular Weight: 347
Formula: C12 H18 N . C7 H7 O3 S
Development Status: Preclinical
SMILES: CC[N+]1(C)CCc2ccccc2C1.Cc1ccc(cc1)S(=O)(=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222322D 0 0.00000 0.00000 0^^ 24 25 0 0 0 999 V2000^ 3.1417 1.4458 0.0000 S 0 0 3 0 0 0 0 0 0^ 3.1417 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1417 2.5208 0.0000 O 0 5 0 0 0 0 0 0 0^ 2.0375 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2167 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1917 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0917 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0917 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4750 0.4375 0.0000 N 0 3 3 0 0 0 0 0 0^ -1.4375 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4250 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4250 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4750 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4375 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3167 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5375 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3833 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3250 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 1 2 0 0 0^ 5 1 2 0 0 0^ 6 2 1 0 0 0^ 7 2 2 0 0 0^ 8 7 1 0 0 0^ 9 6 2 0 0 0^ 10 8 2 0 0 0^ 11 10 1 0 0 0^ 10 9 1 0 0 0^ 13 12 1 0 0 0^ 14 13 1 0 0 0^ 15 17 1 0 0 0^ 16 12 1 0 0 0^ 17 16 1 0 0 0^ 18 12 1 0 0 0^ 19 12 1 0 0 0^ 20 14 1 0 0 0^ 21 15 1 0 0 0^ 22 18 1 0 0 0^ 23 20 2 0 0 0^ 24 21 2 0 0 0^ 15 14 2 0 0 0^ 24 23 1 0 0 0^M CHG 2 3 -1 12 1^M END^^
Structure View
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