Betonicine
CAS Registry Number®
515-25-3
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CAS Name
BetonicineMolecular Formula
C7H13NO3Cite this Page
Betonicine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=515-25-3 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
4476-22-6
