Viewing Compound With Structures

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Compound Report Overview

Compound Name: TRIBROMSALAN
Compound Identifier: 701087
Mol Structure 2D: 701087
Molecular Weight: 450
Formula: C13 H8 Br3 N O2
Development Status: Withdrawn by FDA
SMILES: Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222272D 0 0.00000 0.00000 0^^ 19 20 0 0 0 999 V2000^ 11.3626 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.9732 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.5835 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.5842 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.9695 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.3617 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.5178 -0.6622 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.1358 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.8860 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.5328 -1.3547 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.7400 -0.6796 0.0000 N 0 0 0 0 0 0 0 0 0^ 10.1290 0.3847 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.2904 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.8962 0.3731 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.9243 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.2978 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6656 -0.3096 0.0000 Br 0 0 0 0 0 0 0 0 0^ 8.9367 -2.4268 0.0000 Br 0 0 0 0 0 0 0 0 0^ 13.1973 0.7207 0.0000 Br 0 0 0 0 0 0 0 0 0^ 6 1 1 0 0 0^ 1 2 2 0 0 0^ 3 4 2 0 0 0^ 4 5 1 0 0 0^ 2 3 1 0 0 0^ 7 8 1 0 0 0^ 7 9 2 0 0 0^ 7 10 1 0 0 0^ 8 11 1 0 0 0^ 8 12 2 0 0 0^ 9 13 1 0 0 0^ 9 14 1 0 0 0^ 10 15 2 0 0 0^ 13 16 2 0 0 0^ 13 17 1 0 0 0^ 15 18 1 0 0 0^ 15 16 1 0 0 0^ 11 1 1 0 0 0^ 5 6 2 0 0 0^ 4 19 1 0 0 0^M END^^
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