pyrazinamide
Suppliers
Names
[ CAS No. ]:
98-96-4
[ Name ]:
pyrazinamide
[Synonym ]:
5-25-04-00178 (Beilstein Handbook Reference)
Pyrafat
2-Pyrazinecarboxamide
2-(Aminocarbonyl)pyrazine
pyrazinamide
Aldinamide
Zinamide
a-Pyrazinamide
pyrazinoic acid amide
Tebrazid
Aldinamid
MFCD00006132
pyrazinecarboxylic acid amide
Pyrazinecarboxamide
EINECS 202-717-6
Rifater
Pyrazinamide (TN)
pyrazine-2-carboxamide
pyrazine-2-carboxylic acid amide
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
273.3±43.0 °C at 760 mmHg
[ Melting Point ]:
189-191 °C(lit.)
[ Molecular Formula ]:
C5H5N3O
[ Molecular Weight ]:
123.113
[ Flash Point ]:
119.1±28.2 °C
[ Exact Mass ]:
123.043259
[ PSA ]:
68.87000
[ LogP ]:
-0.83
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.648
[ Storage condition ]:
-20°C Freezer
[ Water Solubility ]:
15 mg/mL
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UQ2275000
- CHEMICAL NAME :
- Pyrazinecarboxamide
- CAS REGISTRY NUMBER :
- 98-96-4
- BEILSTEIN REFERENCE NO. :
- 0112306
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 16
- MOLECULAR FORMULA :
- C5-H5-N3-O
- MOLECULAR WEIGHT :
- 123.13
- WISWESSER LINE NOTATION :
- T6N DNJ BVZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Vascular - BP elevation not characterized in autonomic section
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - ataxia
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1680 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2973 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 90 gm/kg/90D-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 328 gm/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 756 gm/kg/30W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,1,1994 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6080 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 307 (estimated) No. of Female Employees: 251 (estimated)
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
F: Flammable;C: Corrosive;
[ Risk Phrases ]:
R11
[ Safety Phrases ]:
S22-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
UQ2275000
[ HS Code ]:
2933599090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2934999090
[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
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Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...
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Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...
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Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...