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Substance Name: Azulene
RN: 275-51-4
UNII: 82R6M9MGLP
InChIKey: CUFNKYGDVFVPHO-UHFFFAOYSA-N

Note

  • Reported to be anti-inflammatory principle of Matricaria; heat can rearrange it to NAPHTHALENE.

Molecular Formula

  • C10-H8

Molecular Weight

  • 128.173
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Azulene

Synonyms

  • Azunamic
  • Bicyclo(5.3.0)-1,3,5,7,9-decapentaene
  • Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene
  • Bicyclo(5.3.0)decapentaene
  • Cyclopentacycloheptene
  • EINECS 205-993-6
  • NSC 89248
  • UNII-82R6M9MGLP

Systematic Name

  • Azulene

Registry Numbers

CAS Registry Number

  • 275-51-4

FDA UNII

  • 82R6M9MGLP

System Generated Number

  • 0000275514

Structure Descriptors

InChI

1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

InChIKey

CUFNKYGDVFVPHO-UHFFFAOYSA-N

Smiles

c12c(ccc1)ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07952,
mouse LD50 oral > 3gm/kg (3000mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.
mouse LD50 subcutaneous 145mg/kg (145mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.
rat LD50 intraperitoneal 180mg/kg (180mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.
rat LD50 oral > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.
rat LD50 subcutaneous 520mg/kg (520mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 99 deg C   EXP
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 50.2 mg/L 25 EST
Vapor Pressure 0.489 mm Hg 25 EST
Henry's Law Constant 0.039 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.55E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.