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Substance Name: (1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxycyclohexyl)-, (-)-
RN: 85045-69-8
InChIKey: XYRCRRIFXONMTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-O3

Molecular Weight

  • 310.3908
 
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Names and Synonyms

Synonym

  • (-)-alpha-(1-Hydroxycyclohexyl)-(1,1'-biphenyl)-4-acetic acid

Systematic Name

  • (1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxycyclohexyl)-, (-)-

Registry Numbers

CAS Registry Number

  • 85045-69-8

System Generated Number

  • 0085045698

Structure Descriptors

InChI

1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22)

InChIKey

XYRCRRIFXONMTB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)C(C(=O)O)C3(CCCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 509, 1982.