8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, (3-endo)-

CAS Registry Number®

4047-34-1
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CAS Name

8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, (3-endo)-

Molecular Formula

C23H26NO3.Br

Cite this Page

8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, (3-endo)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4047-34-1 (retrieved 2024-08-28) (CAS RN: 4047-34-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    276-277 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C23H26NO3.BrH/c1-24(2)15-11-12-16(24)14-17(13-15)26-23(25)22-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)22;/h3-10,15-17,22H,11-14H2,1-2H3;1H/q+1;/p-1/t15-,16+,17+;

InChIKey

InChIKey=TYLUYQCKBXQXDS-NKZMMAGSNA-M

SMILES

C(O[C@H]1C[C@@]2([N+](C)(C)[C@](C1)(CC2)[H])[H])(=O)C3C=4C(OC=5C3=CC=CC5)=CC=CC4.[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C)C3C=4C=CC=CC4OC=5C=CC=CC53

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, (3-endo)-
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, xanthene-9-carboxylate
  • 8-Methyltropinium bromide xanthene-9-carboxylate
  • 8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, endo-
  • Xanthene-9-carboxylic acid, ester with 3α-hydroxy-8-methyl-1αH,5αH-tropanium bromide

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Deleted or Replaced CAS Registry Numbers

22059-23-0