Viewing Compound With Structures

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Compound Report Overview

Compound Name: TROXYPYRROLIUM TOSILATE
Compound Identifier: 701462
Mol Structure 2D: 701462
Molecular Weight: 510
Formula: C18 H28 N O5 . C7 H7 O3 S
Development Status: Preclinical
SMILES: CC[N+]1(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCC1.Cc1ccc(cc1)S(=O)(=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222342D 0 0.00000 0.00000 0^^ 35 36 0 0 0 999 V2000^ -0.8625 2.0708 0.0000 S 0 0 3 0 0 0 0 0 0^ 0.0667 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 2.0708 0.0000 O 0 5 0 0 0 0 0 0 0^ -0.8625 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8625 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5375 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5375 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4667 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4667 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9375 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8375 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8333 1.0208 0.0000 N 0 3 3 0 0 0 0 0 0^ 2.4417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4417 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0375 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4667 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4458 0.1750 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.8792 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9292 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9292 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5833 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4625 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3958 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4417 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9000 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1333 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2458 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 11 10 1 0 0 0^ 10 9 1 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^ 13 18 1 0 0 0^ 14 25 1 0 0 0^ 15 12 2 0 0 0^ 16 12 1 0 0 0^ 17 13 1 0 0 0^ 18 16 2 0 0 0^ 19 15 1 0 0 0^ 20 17 2 0 0 0^ 21 17 1 0 0 0^ 22 12 1 0 0 0^ 23 15 1 0 0 0^ 24 16 1 0 0 0^ 25 29 1 0 0 0^ 26 14 1 0 0 0^ 27 14 1 0 0 0^ 28 14 1 0 0 0^ 29 21 1 0 0 0^ 30 22 1 0 0 0^ 31 23 1 0 0 0^ 32 24 1 0 0 0^ 33 26 1 0 0 0^ 34 27 1 0 0 0^ 35 28 1 0 0 0^ 19 13 2 0 0 0^ 35 34 1 0 0 0^M CHG 2 3 -1 14 1^M END^^
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