Viewing Compound With Structures

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Compound Report Overview

Compound Name: ROCURONIUM BROMIDE
Compound Identifier: 700761
Mol Structure 2D: 700761
Molecular Weight: 610
Formula: C32 H53 N2 O4 . Br
Development Status: US FDA Approved
SMILES: [Br-].CC(=O)OC1C(CC2C3CCC4CC(O)C(CC4(C)C3CCC12C)N5CCOCC5)[N+]6(CC=C)CCCC6
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222202D 0 0.00000 0.00000 0^^ 43 47 0 1 0 999 V2000^ 0.7250 0.5333 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2833 -0.6000 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.7250 -0.2167 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4417 0.7708 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.8625 0.1458 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.6000 -0.2375 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.0667 -0.6042 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.6292 0.1500 0.0000 N 0 3 3 0 0 0 0 0 0^ 1.4500 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6458 -0.6042 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.2833 -1.3750 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.3625 -0.2042 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0667 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6458 -1.3375 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4792 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6000 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9750 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6083 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.6750 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4542 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2292 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6500 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3250 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1792 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0917 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0208 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7875 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0208 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.6750 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9167 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2708 -2.2292 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.7250 -1.0542 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.0667 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.5833 -1.0125 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.2250 0.7458 0.0000 Br 0 5 0 0 0 0 0 0 0^ 2 6 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 4 1 0 0 0^ 6 17 1 0 0 0^ 7 3 1 0 0 0^ 5 8 1 1 0 0^ 9 3 1 0 0 0^ 10 2 1 0 0 0^ 11 10 1 0 0 0^ 12 2 1 0 0 0^ 11 13 1 1 0 0^ 14 1 1 0 0 0^ 15 18 1 0 0 0^ 4 16 1 1 0 0^ 17 14 1 0 0 0^ 18 12 1 0 0 0^ 19 7 1 0 0 0^ 20 16 1 0 0 0^ 21 19 1 0 0 0^ 22 20 2 0 0 0^ 23 36 1 0 0 0^ 24 25 1 0 0 0^ 25 8 1 0 0 0^ 26 24 2 0 0 0^ 1 27 1 1 0 0^ 2 28 1 1 0 0^ 15 29 1 6 0 0^ 30 8 1 0 0 0^ 31 8 1 0 0 0^ 32 13 1 0 0 0^ 33 13 1 0 0 0^ 34 20 1 0 0 0^ 35 32 1 0 0 0^ 36 33 1 0 0 0^ 37 30 1 0 0 0^ 38 31 1 0 0 0^ 12 39 1 6 0 0^ 3 40 1 6 0 0^ 7 41 1 1 0 0^ 6 42 1 6 0 0^ 9 5 1 0 0 0^ 6 7 1 0 0 0^ 12 21 1 0 0 0^ 38 37 1 0 0 0^ 15 11 1 0 0 0^ 23 35 1 0 0 0^M CHG 2 8 1 43 -1^M END^^
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