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Substance Name: Betonicine
RN: 515-25-3
UNII: FBA654632Q
InChIKey: MUNWAHDYFVYIKH-RITPCOANSA-N

Molecular Formula

  • C7-H13-N-O3

Molecular Weight

  • 159.1837
 
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Names and Synonyms

Name of Substance

  • Betonicine

Synonyms

  • Achillein
  • Achilleine
  • Betonicine
  • EINECS 208-195-6
  • NSC 655264
  • UNII-FBA654632Q

Systematic Names

  • (2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium
  • Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, hydroxide, inner salt, (2S-trans)-

Registry Numbers

CAS Registry Number

  • 515-25-3

FDA UNII

  • FBA654632Q

Other Registry Number

  • 4476-22-6

System Generated Number

  • 0000515253

Structure Descriptors

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

MUNWAHDYFVYIKH-RITPCOANSA-N

Smiles

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