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Substance Name: (1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxy-4-methylcyclohexyl)-, cis-(-)-
RN: 85045-73-4
InChIKey: BXFUVRWYFFKERN-XPZZPWKPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-O3

Molecular Weight

  • 324.4176
 
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Names and Synonyms

Synonyms

  • BRN 5585134
  • cis-(-)-alpha-(1-Hydroxy-4-methylcyclohexyl)-(1,1'-biphenyl)-4-acetic acid

Systematic Name

  • (1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxy-4-methylcyclohexyl)-, cis-(-)-

Registry Numbers

CAS Registry Number

  • 85045-73-4

System Generated Number

  • 0085045734

Structure Descriptors

InChI

1S/C21H24O3/c1-15-11-13-21(24,14-12-15)19(20(22)23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19,24H,11-14H2,1H3,(H,22,23)/t15-,19?,21+

InChIKey

BXFUVRWYFFKERN-XPZZPWKPSA-N

Smiles

C[C@H]1CC[C@](CC1)(O)C(C(=O)O)c2ccc(cc2)c3ccccc3

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.