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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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/h1-4H3InChIKey
FINHMKGKINIASC-UHFFFAOYSA-NSmiles
c1(c(nc(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.