API0233415
Anisotropine Methylbromide
Anisotropine Methylbromide is an anticholinergic used for GI spasms.
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CAS No.
80-50-2
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Synonyms
ANISOTROPINE METHYLBROMIDE; Endovalpin; Octatropine methylbromide
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Molecule Type
Small molecule
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Compound CID
657201
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Molecular Weight (g/mol)
362.3
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Molecular Formula
C17H32BrNO2
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InChI
InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16?;
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InChIKey
QSFKGMJOKUZAJM-JXMYBXCISA-M
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SMILES
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]
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IUPAC Name
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide
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Exact Mass (Da)
361.16164
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Monoisotopic Mass (Da)
361.16164
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