Viewing Compound With Structures

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Compound Report Overview

Compound Name: BUFLOMEDIL PYRIDOXALPHOSPHATE
Compound Identifier: 705817
Mol Structure 2D: 705817
Molecular Weight: 555
Formula: C17 H26 N O4 . C8 H9 N O6 P
Development Status: Clinical, Phase II/III
SMILES: COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1.Cc1ncc(COP(=O)(O)[O-])c(C=O)c1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223082D 0 0.00000 0.00000 0^^ 38 39 0 0 0 999 V2000^ -0.8083 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8083 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5375 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7750 2.0250 0.0000 N 0 3 3 0 0 0 0 0 0^ -2.2583 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5375 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0958 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2583 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0958 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0958 0.3750 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5375 2.8833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0417 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0125 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4375 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9958 0.3750 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3375 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6167 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6167 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7000 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0667 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8292 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8042 -2.1000 0.0000 P 0 0 3 0 0 0 0 0 0^ -0.9958 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9958 -3.6917 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7000 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4917 -2.5167 0.0000 O 0 5 0 0 0 0 0 0 0^ 1.1000 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8042 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3000 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9958 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5042 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6875 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4083 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4083 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 16 17 1 0 0 0^ 17 7 1 0 0 0^ 18 11 1 0 0 0^ 19 10 1 0 0 0^ 20 15 1 0 0 0^ 21 14 1 0 0 0^ 22 13 1 0 0 0^ 8 6 2 0 0 0^ 22 21 1 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 12 1 0 0 0^ 5 3 2 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 5 1 0 0 0^ 9 7 2 0 0 0^ 10 2 1 0 0 0^ 11 3 1 0 0 0^ 12 16 1 0 0 0^ 13 4 1 0 0 0^ 14 4 1 0 0 0^ 15 8 1 0 0 0^ 24 27 1 0 0 0^ 25 24 2 0 0 0^ 26 32 1 0 0 0^ 27 33 1 0 0 0^ 28 26 2 0 0 0^ 29 23 1 0 0 0^ 30 23 1 0 0 0^ 31 23 2 0 0 0^ 32 27 2 0 0 0^ 33 30 1 0 0 0^ 34 24 1 0 0 0^ 35 23 1 0 0 0^ 36 34 2 0 0 0^ 37 25 1 0 0 0^ 38 28 1 0 0 0^ 28 25 1 0 0 0^M CHG 2 4 1 29 -1^M END^^
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