Anisotropine methylbromide

CAS Registry Number®

80-50-2
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CAS Name

Anisotropine methylbromide

Molecular Formula

C17H32NO2.Br

Cite this Page

Anisotropine methylbromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80-50-2 (retrieved 2022-12-06) (CAS RN: 80-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    329 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1/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+;

InChIKey

InChIKey=QSFKGMJOKUZAJM-CNKDKAJDNA-M

SMILES

C[N@@+]1(C)[C@H]2C[C@H](OC(C(CCC)CCC)=O)C[C@@H]1CC2.[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C)C(CCC)CCC

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, bromide, (3-endo)-
  • H,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, 2-propylvalerate
  • 8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, bromide, endo-
  • 8-Methyltropinium bromide, 2-propylvalerate
  • 8-Methyltropinium bromide 2-propylpentanoate