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Azathioprine

CAS 446-86-6C9H7N7O2SMW 277.27

Azathioprine (CAS 446-86-6) — formula C9H7N7O2S, molecular weight 277.27.

Specifications

CAS Number446-86-6
Molecular FormulaC9H7N7O2S
Molecular Weight277.27
Melting Point243.5
LogP0.1

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What this product is

Azathioprine is a chemical compound with CAS registry number 446-86-6 and molecular formula C9H7N7O2S (molecular weight 277.27).

Identification

CAS number: 446-86-6

Its molecular formula C9H7N7O2S comprises 9 C, 7 H, 7 N, 2 O, 1 S atoms.

Also known as: Azathioprine · azathioprine usp

Frequently Asked Questions

What is the CAS number of Azathioprine?

The CAS registry number of Azathioprine is 446-86-6.

What is the molecular formula and molecular weight of Azathioprine?

Molecular formula C9H7N7O2S, molecular weight 277.27.

What other names is Azathioprine known by?

It is also registered under: Azathioprine, azathioprine usp.

PubChem Public Data

Public-database records for Azathioprine (CAS 446-86-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH302 (100%), H315 (88.8%), H319 (88.8%), H335 (87.9%), H340 (62.6%), H350 (100%), H360 (58.9%), H317

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]

Physical description and 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

Reported physical properties

熔点243.5
熔点dec 243-244 °C
熔点243.5 °C
溶解度1.07e+00 g/L
LogP0.1
LogPlog Kow = 0.10
LogP0.7
LogP0.89
Dissociation Constants7.87 (at 25 °C)
Dissociation ConstantspKa = 8.2

How this substance is indexed

CAS Registry Number446-86-6
PubChem CID2265
分子式C9H7N7O2S
IUPAC 名称6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
UNII（FDA）MRK240IY2L

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

Names this substance appears under

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

Computed molecular descriptors

分子量277.27
XLogP30.1
氢键供体数1
氢键受体数7
可旋转键数2
精确质量277.03819367
单同位素质量277.03819367
拓扑极性表面积143
重原子数19
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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