Betonicine

CAS Registry Number®

515-25-3

CAS Name

Betonicine

Molecular Formula

C7H13NO3

Cite this Page

Betonicine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=515-25-3 (retrieved 2024-11-22) (CAS RN: 515-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243-244 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

InChIKey

InChIKey=MUNWAHDYFVYIKH-RITPCOANSA-N

SMILES

C([O-])(=O)[C@H]1[N+](C)(C)C[C@H](O)C1

Canonical SMILES

O=C([O-])C1CC(O)C[N+]1(C)C

Other Names for this Substance

  • Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt, (2S,4R)-
  • Betonicine
  • Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, hydroxide, inner salt, (2S-trans)-
  • 2-Carboxy-4-hydroxy-1,1-dimethylpyrrolidinium hydroxide, inner salt, L-trans-
  • Achilleine

View All

Deleted or Replaced CAS Registry Numbers

4476-22-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration