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Substance Name: Trigonellamide chloride
RN: 1005-24-9
UNII: L54XNJ1D5G
InChIKey: BWVDQVQUNNBTLK-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N2-O.Cl

Molecular Weight

  • 172.6141
 
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Names and Synonyms

Name of Substance

  • Trigonellamide chloride

Synonyms

  • 1-Methylnicotinamide chloride
  • 1-Methylpyridine-3-carboxylic acid amide chloride
  • 3-Carbamoyl-1-methylpyridinium chloride
  • 3-Carbamyl-1-methylpyridinium chloride
  • N-Methylnicotinamide chloride
  • Nicotinamide methochloride
  • Nicotinamide methyl chloride
  • Nipecotamide methochloride
  • Pyridinium, 3-carbamoyl-1-methyl-, chloride
  • TRIA-662
  • Trigonellamide chloride
  • UNII-L54XNJ1D5G

Systematic Name

  • Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 1005-24-9

FDA UNII

  • L54XNJ1D5G

Related Registry Number

  • 3106-60-3 (Parent)

System Generated Number

  • 0001005249

Molecular Formulas

Molecular Formula

  • C7-H9-N2-O.Cl

Molecular Formula Fragments

  • C7-H9-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H

InChIKey

BWVDQVQUNNBTLK-UHFFFAOYSA-N

Smiles

C[n+]1cccc(c1)C(=O)N.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 subcutaneous 2400mg/kg (2400mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Proceedings of the Society for Experimental Biology and Medicine. Vol. 62, Pg. 19, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -4.570 (none)   EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.