Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Chamazulene
RN: 529-05-5
UNII: Z439UH6E5F
InChIKey: GXGJIOMUZAGVEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16

Molecular Weight

  • 184.28
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Chamazulene

Synonyms

  • 1,4-Dimethyl-7-ethylazulene
  • 4-05-00-01736 (Beilstein Handbook Reference)
  • 7-Ethyl-1,4-dimethylazulene
  • Azulene, 7-ethyl-1,4-dimethyl-
  • BA 2784
  • BRN 1306577
  • Camazulene
  • Chamazulen
  • Chamazulene
  • Dimethulen
  • Dimethulene
  • EINECS 208-449-6
  • UNII-Z439UH6E5F

Systematic Names

  • 7-Ethyl-1,4-dimethylazulene
  • Azulene, 1,4-dimethyl-7-ethyl-

Registry Numbers

CAS Registry Number

  • 529-05-5

FDA UNII

  • Z439UH6E5F

System Generated Number

  • 0000529055

Structure Descriptors

InChI

1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3

InChIKey

GXGJIOMUZAGVEH-UHFFFAOYSA-N

Smiles

c12c(ccc2C)c(ccc(c1)CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 3gm/kg (3000mg/kg)   Rastitel'nye Resursy. Plant Resources. Vol. 3, Pg. 67, 1967.
rabbit LDLo intravenous 600mg/kg (600mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Rastitel'nye Resursy. Plant Resources. Vol. 3, Pg. 67, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 5.510 (none)   EST
Atmospheric OH Rate Constant 4.02E-10 cm3/molecule-sec 25 EST

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