Viewing Compound With Structures

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Compound Report Overview

Compound Name: COCAINE
Compound Identifier: 704406
Mol Structure 2D: 704406
Molecular Weight: 303
Formula: C17 H21 N O4
Development Status: US FDA Approved
SMILES: COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222072D 0 0.00000 0.00000 0^^ 24 26 0 0 0 999 V2000^ 0.6208 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0228 -0.0337 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.2438 -0.0269 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.4918 0.3409 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.1351 -0.7162 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.3767 -0.3430 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.5635 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6251 -0.7180 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1997 0.4976 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2981 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8212 -0.9402 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0334 1.1393 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8349 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8719 0.3799 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1077 -0.2692 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1309 -1.3545 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.3195 -0.3594 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.0035 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7595 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1349 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8943 -2.0401 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2726 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8940 -0.7233 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1359 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0^ 10 2 1 0 0 0^ 11 10 1 0 0 0^ 12 9 2 0 0 0^ 13 4 1 0 0 0^ 14 9 1 0 0 0^ 15 14 1 0 0 0^ 5 16 1 6 0 0^ 11 6 1 0 0 0^ 6 7 1 1 0 0^ 3 17 1 6 0 0^ 3 2 1 0 0 0^ 8 18 1 0 0 0^ 4 2 1 0 0 0^ 18 19 1 0 0 0^ 18 1 2 0 0 0^ 5 3 1 0 0 0^ 19 20 2 0 0 0^ 6 4 1 0 0 0^ 20 21 1 0 0 0^ 7 5 1 0 0 0^ 21 22 2 0 0 0^ 8 5 1 0 0 0^ 22 23 1 0 0 0^ 9 3 1 0 0 0^ 23 24 2 0 0 0^ 24 19 1 0 0 0^M END^^
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