Azathioprine

Description

Azathioprine · CAS 446-86-6 · C9H7N7O2S. UNII MRK240IY2L. Melting Point: 243.5; Melting Point: dec 243-244 °C; Melting Point: 243.5 °C.

Identification

CAS Registry Number	446-86-6
PubChem CID	2265
Molecular formula	C9H7N7O2S
IUPAC name	6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
UNII (FDA)	MRK240IY2L

Computed Descriptors

Molecular Weight	277.27
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	277.03819367
Monoisotopic Mass	277.03819367
Topological Polar Surface Area	143
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Melting Point	243.5
Melting Point	dec 243-244 °C
Melting Point	243.5 °C
Solubility	1.07e+00 g/L
LogP	0.1
LogP	log Kow = 0.10
LogP	0.7
LogP	0.89
Dissociation Constants	7.87 (at 25 °C)
Dissociation Constants	pKa = 8.2

Physical description & handling notes

• Azathioprine appears as pale yellow crystals or yellowish powder. Decomposes at 243-244 °C. Used for the treatment of rheumatoid arthritis. A known carcinogen.
• Solid
• Pale yellow crystals from 50% aq acetone
• 469 to 471 °F (decomposes) (NTP, 1992)
• less than 1 mg/mL at 73 °F (NTP, 1992)
• Insoluble

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (88.8%), H319 (88.8%), H335 (87.9%), H340 (62.6%), H350 (100%), H360 (58.9%), H317

Documented Uses

• Used as an immunosuppressant and anticancer drug; [Kanerva, p. 1753]
• Use (kg; approx.) in Germany (2009): >2500
• Use (kg; exact) in Germany (2009): 3323
• Consumption (g per capita; approx.) in Germany (2009): 0.0305
• Consumption (g per capita; exact) in Germany (2009): 0.0406
• Consumption (g per capita) in the USA (2002): 0.00253

Synonyms

azathioprine; 446-86-6; Azothioprine; Azanin; Azathioprin; Azatioprin; Azamun; Azasan; Ccucol; Imurek; Muran; NSC-39084; Azathioprinum; Azatioprina; BW 57-322; BW-57-322

Frequently Asked Questions

What are the CAS number and molecular formula of Azathioprine?

CAS 446-86-6; molecular formula C9H7N7O2S; molecular weight — g/mol.

What other names is Azathioprine known by?

azathioprine, 446-86-6, Azothioprine, Azanin, Azathioprin, Azatioprin.

Is Azathioprine classified as hazardous?

Hazard statements reported: H302, H315, H319, H335, H340.

What are the key physical properties of Azathioprine?

Melting Point: 243.5; Melting Point: dec 243-244 °C; Melting Point: 243.5 °C; Solubility: 1.07e+00 g/L.

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.