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Substance Name: Thymol, 6,6'-(2,2,2-trichloroethylidene)di-
RN: 13479-26-0
InChIKey: QGVSAJOOKCTTII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl3-O2

Molecular Weight

  • 429.812
 
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Names and Synonyms

Synonyms

  • 3-06-00-05558 (Beilstein Handbook Reference)
  • 6,6'-(2,2,2-Trichloroethylidene)dithymol
  • BRN 2482194
  • Dithymyltrichloroethane
  • Phenol, 4,4'-(2,2,2-trichloroethylidene)bis(5-methyl-2-(1-methylethyl)-

Systematic Name

  • Thymol, 6,6'-(2,2,2-trichloroethylidene)di-

Registry Numbers

CAS Registry Number

  • 13479-26-0

System Generated Number

  • 0013479260

Structure Descriptors

InChI

1S/C22H27Cl3O2/c1-11(2)15-9-17(13(5)7-19(15)26)21(22(23,24)25)18-10-16(12(3)4)20(27)8-14(18)6/h7-12,21,26-27H,1-6H3

InChIKey

QGVSAJOOKCTTII-UHFFFAOYSA-N

Smiles

C(C(Cl)(Cl)Cl)(c1cc(c(cc1C)O)C(C)C)c1cc(c(cc1C)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7350mg/kg (7350mg/kg)   Therapie. Vol. 22, Pg. 285, 1967.