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Substance Name: (1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxycyclopentyl)-, (+)-
RN: 85045-80-3
InChIKey: UBDNMXNAJIUKJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O3

Molecular Weight

  • 296.364
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85045-80-3

System Generated Number

  • 0085045803

Structure Descriptors

InChI

1S/C19H20O3/c20-18(21)17(19(22)12-4-5-13-19)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,17,22H,4-5,12-13H2,(H,20,21)

InChIKey

UBDNMXNAJIUKJC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)C(C(=O)O)C3(CCCC3)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.