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Substance Name: Isotrigonelline
RN: 824-77-1
UNII: H684MTM055
InChIKey: QITIEADGFBVLCV-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O2

Molecular Weight

  • 137.1373
 
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Names and Synonyms

Name of Substance

  • Isotrigonelline

Synonyms

  • 4-Carboxy-1-methylpyridinium betaine
  • 4-Carboxy-1-methylpyridiniumhydroxide, inner salt
  • Isotrigonelline
  • N-Methylisonicotinate
  • Pyridinium, 4-carboxy-1-methyl-, hydroxide, inner salt
  • Pyridinium, 4-carboxy-1-methyl-, inner salt
  • UNII-H684MTM055

Registry Numbers

CAS Registry Number

  • 824-77-1

FDA UNII

  • H684MTM055

System Generated Number

  • 0000824771

Structure Descriptors

InChI

1S/C7H7NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-5H,1H3

InChIKey

QITIEADGFBVLCV-UHFFFAOYSA-N

Smiles

C[n+]1ccc(cc1)C(=O)[O-]