Atropine methyl bromide

CAS Registry Number®

2870-71-5

CAS Name

Atropine methyl bromide

Molecular Formula

C18H26NO3.Br

Cite this Page

Atropine methyl bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2870-71-5 (retrieved 2024-11-22) (CAS RN: 2870-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-223 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;

InChIKey

InChIKey=XMLNCADGRIEXPK-KUMOIWDRNA-M

SMILES

C[N+]1(C)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H].[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C)C(C=3C=CC=CC3)CO

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide (1:1), (3-endo)-
  • 8-Methylatropinium bromide
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, (±)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, endo-(±)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, (3-endo)-

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