Viewing Compound With Structures

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Compound Report Overview

Compound Name: HEXOPYRRONIUM BROMIDE
Compound Identifier: 704959
Mol Structure 2D: 704959
Molecular Weight: 412
Formula: C20 H30 N O3 . Br
Development Status: Preclinical
SMILES: [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCCC2)c3ccccc3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222342D 0 0.00000 0.00000 0^^ 25 26 0 0 0 999 V2000^ 0.0125 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0875 -0.6917 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.2708 -1.2292 0.0000 N 0 3 3 0 0 0 0 0 0^ -0.5208 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5208 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6000 -1.6167 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.1917 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3083 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1833 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0875 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.1375 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0875 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6375 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7292 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8042 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1542 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0167 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0875 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6208 1.1333 0.0000 Br 0 5 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 8 1 0 0 0^ 4 1 1 0 0 0^ 5 1 2 0 0 0^ 6 4 1 0 0 0^ 7 2 1 0 0 0^ 8 6 1 0 0 0^ 9 11 1 0 0 0^ 10 2 1 0 0 0^ 11 6 1 0 0 0^ 12 2 1 0 0 0^ 13 3 1 0 0 0^ 14 3 1 0 0 0^ 15 7 1 0 0 0^ 16 7 2 0 0 0^ 17 10 1 0 0 0^ 18 10 1 0 0 0^ 19 15 2 0 0 0^ 20 16 1 0 0 0^ 21 17 1 0 0 0^ 22 18 1 0 0 0^ 23 22 1 0 0 0^ 24 20 2 0 0 0^ 9 3 1 0 0 0^ 23 21 1 0 0 0^ 24 19 1 0 0 0^M CHG 2 3 1 25 -1^M END^^
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