Viewing Compound With Structures

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Compound Report Overview

Compound Name: FLOCTAFENINE
Compound Identifier: 705114
Mol Structure 2D: 705114
Molecular Weight: 406
Formula: C20 H17 F3 N2 O4
Development Status: Launched outside US, not listed by FDA
SMILES: OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222402D 0 0.00000 0.00000 0^^ 29 31 0 0 0 999 V2000^ -2.0833 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0958 2.1708 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.5458 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6042 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.0042 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1125 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1083 0.4083 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.5292 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2292 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0958 3.2083 0.0000 F 0 0 0 0 0 0 0 0 0^ -4.1458 2.1708 0.0000 F 0 0 0 0 0 0 0 0 0^ -3.0958 1.1250 0.0000 F 0 0 0 0 0 0 0 0 0^ -0.5333 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5750 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9542 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5500 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3500 -2.2417 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.0167 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1250 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9542 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0375 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7542 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4958 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6042 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5542 3.0583 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 9 2 0 0 0^ 5 3 1 0 0 0^ 6 7 1 0 0 0^ 7 5 2 0 0 0^ 8 4 1 0 0 0^ 9 6 1 0 0 0^ 10 3 2 0 0 0^ 11 8 1 0 0 0^ 12 8 2 0 0 0^ 13 2 1 0 0 0^ 14 2 1 0 0 0^ 15 2 1 0 0 0^ 16 17 2 0 0 0^ 17 10 1 0 0 0^ 18 11 1 0 0 0^ 19 1 2 0 0 0^ 20 18 1 0 0 0^ 21 26 2 0 0 0^ 22 4 1 0 0 0^ 23 20 1 0 0 0^ 24 9 1 0 0 0^ 25 27 1 0 0 0^ 26 19 1 0 0 0^ 27 20 1 0 0 0^ 28 29 1 0 0 0^ 29 24 2 0 0 0^ 21 5 1 0 0 0^ 16 7 1 0 0 0^ 28 22 2 0 0 0^M END^^
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