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Substance Name: Anetholtrithion [JAN]
RN: 532-11-6
UNII: QUY32964DJ
InChIKey: KYLIZBIRMBGUOP-UHFFFAOYSA-N

Note

  • Choleretic used to allay dry mouth and constipation due to tranquilizers.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-O-S3

Molecular Weight

  • 240.3702
 
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Names and Synonyms

Name of Substance

  • Anethole trithione
  • Anetholtrithion [JAN]

MeSH Heading

  • Anethole trithione

Synonyms

  • 3-(p-Methoxyphenyl)trithione
  • 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione
  • 5-(p-Methoxyphenyl)-1,2-dithiocyclopenten-3-thione
  • 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione
  • 5-19-05-00546 (Beilstein Handbook Reference)
  • Anethole trithione
  • Anetholtrithion
  • Bilitherap
  • BRN 0158393
  • CCRIS 6289
  • EINECS 208-528-5
  • Felviten
  • Halpen
  • Heporal
  • Mucinol
  • SKF 1717
  • Sulfarlem
  • Sulfogal
  • Tiopropen
  • Tiotrifar
  • Trithio-(p-methoxyphenyl)propene
  • Trithioanethole
  • UNII-QUY32964DJ

Systematic Names

  • 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)- (9CI)
  • 3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-
  • 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione
  • 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione
  • Anethole trithione

Registry Numbers

CAS Registry Number

  • 532-11-6

FDA UNII

  • QUY32964DJ

System Generated Number

  • 0000532116

Structure Descriptors

InChI

1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3

InChIKey

KYLIZBIRMBGUOP-UHFFFAOYSA-N

Smiles

c1(c2ccc(OC)cc2)ssc(c1)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 6gm/kg (6000mg/kg)   Drugs in Japan Vol. 6, Pg. 25, 1982.
mouse LD50 intraperitoneal 1780mg/kg (1780mg/kg)   Drugs in Japan Vol. 6, Pg. 25, 1982.
mouse LD50 oral 1480mg/kg (1480mg/kg)   Drugs in Japan Vol. -, Pg. 38, 1990.
rat LD50 intramuscular 35mg/kg (35mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 244, 1954.
rat LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 25, Pg. 815, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.82 (none)   EXP
Water Solubility 14.6 mg/L 25 EST
Vapor Pressure 9.33E-07 mm Hg 25 EST
Henry's Law Constant 3.01E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.33E-10 cm3/molecule-sec 25 EST

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