2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-

CAS Registry Number®

128637-87-6

CAS Name

2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-

Molecular Formula

C13H23NO3

Molecular Mass

241.33

Cite this Page

2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128637-87-6 (retrieved 2024-11-26) (CAS RN: 128637-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)/t9-,10-,11-,13+/m1/s1

InChIKey

InChIKey=YWVYEZNFPRWGMM-UZWSLXQKSA-N

SMILES

C([C@@H](CC(O)=O)C)[C@@]1(O)[C@]2(CN(C)[C@@](C1)(CC2)[H])[H]

Canonical SMILES

O=C(O)CC(C)CC1(O)CC2N(C)CC1CC2

Other Names for this Substance

  • 2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-
  • Dioscoretine
  • Dioscoretin

CAS INSIGHTSTM
Hourglass and a clock