3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-, methyl sulfate (1:1)

CAS Registry Number®

18067-13-5

CAS Name

3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-, methyl sulfate (1:1)

Molecular Formula

C18H24NO4.CH3O4S

Cite this Page

3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18067-13-5 (retrieved 2024-11-22) (CAS RN: 18067-13-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    141-144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24NO4.CH4O4S/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;1-5-6(2,3)4/h3-7,12-17,20H,8-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

InChIKey

InChIKey=KHMGIQHRSVLFQG-RAFJPFSSSA-M

SMILES

S(OC)(=O)(=O)[O-].C[N+]1(C)[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC2C3OC3C(C1)[N+]2(C)C)C(C=4C=CC=CC4)CO.O=S(=O)([O-])OC

Other Names for this Substance

  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-, methyl sulfate (1:1)
  • 1αH,5αH-Tropanium, 6β,7β-epoxy-3α-hydroxy-8-methyl-, methyl sulfate, (-)-tropate
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, [7(S)-(1α,2β,4β,5α,7β)]-, methyl sulfate (salt)
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-, methyl sulfate (salt)
  • Tropic acid, (-)-, ester with 6β,7β-epoxy-3α-hydroxy-8-methyl-1αH,5αH-tropanium methyl sulfate

View All

Deleted or Replaced CAS Registry Numbers

53832-47-6, 58670-88-5, 1195379-82-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration