8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-

CAS Registry Number®

5868-06-4

CAS Name

8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-

Molecular Formula

C31H34NO4.Br

Cite this Page

8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5868-06-4 (retrieved 2024-11-22) (CAS RN: 5868-06-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203-205 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1

InChIKey

InChIKey=MPLNGQBULSHWQW-UHFFFAOYSA-M

SMILES

C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3(C)C4CC(OC(C(CO)C5=CC=CC=C5)=O)CC3CC4.[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)CC(=O)C=3C=CC(=CC3)C=4C=CC=CC4)C(C=5C=CC=CC5)CO

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-(p-phenylphenacyl)-, bromide, (-)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, [3(S)-endo,anti]-
  • 8-(p-Phenylphenacyl)hyoscyaminium bromide
  • Tropic acid, (-)-, ester with 3α-hydroxy-8-(p-phenylphenacyl)-1αH,5αH-tropanium bromide

View All

Deleted or Replaced CAS Registry Numbers

129742-90-1, 29315-48-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration