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Substance Name: o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-
RN: 23802-14-4
InChIKey: VVVGSXSXEXLTAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-Cl-O

Molecular Weight

  • 274.789
 
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Names and Synonyms

Synonyms

  • 2-(4'-Chlorobenzyl)-4-sec-butylphenol
  • 4-sec-Butyl-alpha-(p-chlorophenyl)-o-cresol

Systematic Name

  • o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 23802-14-4

System Generated Number

  • 0023802144

Structure Descriptors

InChI

1S/C17H19ClO/c1-3-12(2)14-6-9-17(19)15(11-14)10-13-4-7-16(18)8-5-13/h4-9,11-12,19H,3,10H2,1-2H3

InChIKey

VVVGSXSXEXLTAO-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)[C@@H](CC)C)Cc1ccc(cc1)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3984482,