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Substance Name: Ligustrazine
RN: 1124-11-4
UNII: V80F4IA5XG
InChIKey: FINHMKGKINIASC-UHFFFAOYSA-N

Note

  • Found in Ligusticum chuanxiong.

Classification Codes

  • Cardiovascular Agents
  • Vasodilator Agents

Molecular Formula

  • C8-H12-N2

Molecular Weight

  • 136.197
 
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Names and Synonyms

Results Name

  • Ligustrazine

Name of Substance

  • Tetramethylpyrazine

Synonyms

  • 2,3,5,6-Tetramethyl pyrazine
  • 2,3,5,6-Tetramethylpyrazine
  • 2,3,5,6-Tetramethylpyrazine (natural)
  • Bs factor
  • EINECS 214-391-2
  • FEMA No. 3237
  • Ligustrazine
  • Liqustrazine
  • NSC 36080
  • NSC 46451
  • Pyrazine, tetramethyl-
  • Tetramethylpyrazin
  • Tetramethylpyrazine
  • Tetrapyrazine
  • UNII-V80F4IA5XG

Systematic Names

  • 2,3,5,6-Tetramethylpyrazine
  • Pyrazine, 2,3,5,6-tetramethyl-
  • Pyrazine, tetramethyl-

Superlist Name

  • Tetramethylpyrazine

Registry Numbers

CAS Registry Number

  • 1124-11-4

FDA UNII

  • V80F4IA5XG

Other Registry Numbers

  • 87396-75-6
  • 93615-56-6

Related Registry Number

  • 76494-51-4 (hydrochloride)

System Generated Number

  • 0001124114

Structure Descriptors

InChI

1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3

InChIKey

FINHMKGKINIASC-UHFFFAOYSA-N

Smiles

c1(c(nc(C)c(n1)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800ug/kg (0.8mg/kg)   International Journal of Crude Drug Research. Vol. 23, Pg. 119, 1985.
mouse LD50 intravenous 239mg/kg (239mg/kg)   Chinese Medical Journal Vol. 4, Pg. 319, 1978.
rat LD50 oral 1910mg/kg (1910mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84-86 deg C   EXP
Boiling Point 190 deg C   EXP
pKa Dissociation Constant 3.55 (none) 27 EXP
log P (octanol-water) 1.28 (none)   EXP
Water Solubility 7010 mg/L 25 EST
Vapor Pressure 0.169 mm Hg 25 EST
Henry's Law Constant 4.33E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.90E-12 cm3/molecule-sec 25 EST

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