Viewing Compound With Structures

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Compound Report Overview

Compound Name: TIANEPTINE SODIUM
Compound Identifier: 705733
Mol Structure 2D: 705733
Molecular Weight: 437
Formula: C21 H25 Cl N2 O4 S
Development Status: Launched outside US, not listed by FDA
SMILES: CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223052D 0 0.00000 0.00000 0^^ 29 31 0 0 0 999 V2000^ 3.0792 -4.4375 0.0000 S 0 0 3 0 0 0 0 0 0^ 3.9167 -4.4375 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.6292 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8042 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4542 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3125 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5875 -2.6167 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.1917 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4792 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8167 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5875 -1.7750 0.0000 N 0 0 0 0 0 0 0 0 0^ 8.4542 -0.5625 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.2042 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2875 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4042 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.2000 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.9042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3542 -3.7375 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 5.2125 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7667 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.3792 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8500 -3.5750 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 3 2 0 0 0^ 5 2 1 0 0 0^ 6 5 2 0 0 0^ 7 4 1 0 0 0^ 8 1 2 0 0 0^ 9 1 2 0 0 0^ 10 3 1 0 0 0^ 11 4 1 0 0 0^ 12 22 1 0 0 0^ 13 7 1 0 0 0^ 14 12 2 0 0 0^ 15 10 2 0 0 0^ 16 2 1 0 0 0^ 17 15 1 0 0 0^ 18 12 1 0 0 0^ 19 6 1 0 0 0^ 20 15 1 0 0 0^ 21 5 1 0 0 0^ 22 24 1 0 0 0^ 23 13 1 0 0 0^ 24 28 1 0 0 0^ 25 23 1 0 0 0^ 26 29 1 0 0 0^ 27 25 1 0 0 0^ 28 27 1 0 0 0^ 29 21 2 0 0 0^ 6 7 1 0 0 0^ 17 11 2 0 0 0^ 26 19 2 0 0 0^M END^^
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