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Substance Name: (1,1'-Biphenyl)-4-propanoic acid, beta-hydroxy-beta-methyl-alpha-phenyl-, (R*,S*)-(-)-
RN: 119725-44-9
InChIKey: UMHQGTXAIQNRHZ-IRLDBZIGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-O3

Molecular Weight

  • 332.397
 
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Names and Synonyms

Synonym

  • threo-(-)-beta-Hydroxy-beta-methyl-alpha-phenyl-(1,1'-biphenyl)-4-propanoic acid

Systematic Name

  • (1,1'-Biphenyl)-4-propanoic acid, beta-hydroxy-beta-methyl-alpha-phenyl-, (R*,S*)-(-)-

Registry Numbers

CAS Registry Number

  • 119725-44-9

System Generated Number

  • 0119725449

Structure Descriptors

InChI

1S/C22H20O3/c1-22(25,20(21(23)24)18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22+/m1/s1

InChIKey

UMHQGTXAIQNRHZ-IRLDBZIGSA-N

Smiles

C[C@](c1ccc(cc1)c2ccccc2)([C@H](c3ccccc3)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmazie. Vol. 43, Pg. 764, 1988.
mouse LD50 oral > 500mg/kg (500mg/kg)   Pharmazie. Vol. 43, Pg. 764, 1988.