8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-octyl-, bromide (1:1), (3-endo)-

CAS Registry Number®

5843-82-3

CAS Name

8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-octyl-, bromide (1:1), (3-endo)-

Molecular Formula

C25H40NO3.Br

Cite this Page

8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-octyl-, bromide (1:1), (3-endo)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5843-82-3 (retrieved 2024-12-22) (CAS RN: 5843-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C25H40NO3.BrH/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20;/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3;1H/q+1;/p-1/t21-,22+,23+,24?,26?;

InChIKey

InChIKey=DLZGOGBFEPLEJA-YYYJYMDPNA-M

SMILES

C(CCCCCCC)[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)CCCCCCCC)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-methyl-8-octyl-, bromide (1:1), (3-endo)-
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-octyl-, bromide, (±)-tropate
  • N-Octylatropinium bromide
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-octyl-, bromide, endo-(±)-
  • 8-Octylatropinium bromide

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