Methyl (1R,2R,3S,5S)-3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

CAS Registry Number®

192648-66-1

CAS Name

Methyl (1R,2R,3S,5S)-3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Molecular Formula

C19H23NO6

Molecular Mass

361.39

Cite this Page

Methyl (1R,2R,3S,5S)-3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=192648-66-1 (retrieved 2024-11-22) (CAS RN: 192648-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H23NO6/c1-11(21)25-15-7-5-4-6-13(15)18(22)26-16-10-12-8-9-14(20(12)2)17(16)19(23)24-3/h4-7,12,14,16-17H,8-10H2,1-3H3/t12-,14+,16-,17+/m0/s1

InChIKey

InChIKey=BGTCUQCBSAMJBH-JSQNDZKTSA-N

SMILES

O(C(=O)C1=C(OC(C)=O)C=CC=C1)[C@@H]2[C@H](C(OC)=O)[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1C(=O)OC)C=3C=CC=CC3OC(=O)C

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester, [1R-(exo,exo)]-
  • Methyl (1R,2R,3S,5S)-3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • 2′-Acetoxycocaine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration