吡嗪酰胺

Description

Pyrazinamide · CAS 98-96-4 · C5H5N3O. UNII 2KNI5N06TI. Boiling Point: SUB (NTP, 1992); Melting Point: 376 to 379 °F (NTP, 1992); Melting Point: 192.

Identification

CAS Registry Number	98-96-4
PubChem CID	1046
Molecular formula	C5H5N3O
IUPAC name	pyrazine-2-carboxamide
UNII (FDA)	2KNI5N06TI

Computed Descriptors

Molecular Weight	123.11
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	123.043261792
Monoisotopic Mass	123.043261792
Topological Polar Surface Area	68.9
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	SUB (NTP, 1992)
Melting Point	376 to 379 °F (NTP, 1992)
Melting Point	192
Melting Point	192 °C
Solubility	15000
Solubility	In water, 15 mg/ml @ 25 °C
Solubility	9.37e+01 g/L
LogP	-0.6
LogP	log Kow= -0.60
LogP	-1

Physical description & handling notes

• Pyrazinamide is a white powder. Sublimes from 318 °F. (NTP, 1992)
• Solid
• Crystals
• Crystals from water or alcohol
• Crystals from water or ethyl alcohol
• Soluble (NTP, 1992)

Regulatory Status

GHS notification summary	7.1% (4 / 56)

GHS Hazard Classification

GHS notification summary	7.1% (4 / 56)
Reported hazard statements	H310 (92.9%), H315 (92.9%), H330 (92.9%)

Documented Uses

• Antibacterial (tuberculostatic)
• Pyrazinamide is a bactericidal antitubercular agent that is used in combination with other antitubercular agents, especially in developing nations. ... In the US, pyrazinamide is generally reserved for combination use in patients infected with drug-resistant strains.
• Use (kg; approx.) in Germany (2009): >750
• Consumption (g per capita; approx.) in Germany (2009): 0.00916
• Quinoxaline + ammonia (side-chain oxidation/decarboxylation/amide formation)
• Prepd by ammonolysis of methyl pyrazinoate (from quinoxaline): Dalmer, Walter, Ger. Pat. 632,257 (1936 to E. Merck); Brit. Pat. 451,304; U.S. pat. 2,149,279 (1939 to Merck & Co.); Hall, Spoerri, J. Am. Chem. Soc. 62, 664 (1940); Williams, Kushner, U.S. pat. 2,677,641 (1954 to Am Cyanamid); by thermal decarboxylation of pyrazine-2-carboxamide-3-carboxylic acid: Webb, Arlt, U.S. pat. 2,780,624 (1957 to Am. Cyanamid).

Synonyms

pyrazinamide; pyrazinecarboxamide; 98-96-4; pyrazine-2-carboxamide; Aldinamide; Zinamide; pyrazinoic acid amide; Aldinamid; Farmizina; Pirazimida; Pirazinamid; Unipyranamide; Eprazin; Novamid; Tebrazid; Pyrafat

Frequently Asked Questions

What are the CAS number and molecular formula of Pyrazinamide?

CAS 98-96-4; molecular formula C5H5N3O; molecular weight — g/mol.

What other names is Pyrazinamide known by?

pyrazinamide, pyrazinecarboxamide, 98-96-4, pyrazine-2-carboxamide, Aldinamide, Zinamide.

Is Pyrazinamide classified as hazardous?

7.1% of GHS notifications report no hazard classification (4 of 56).

What are the key physical properties of Pyrazinamide?

Boiling Point: SUB (NTP, 1992); Melting Point: 376 to 379 °F (NTP, 1992); Melting Point: 192; Melting Point: 192 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.