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Substance Name: 3-Phenanthreneacetic acid, alpha-methyl-
RN: 40453-15-4
InChIKey: BQGDBXHKMJKCKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-O2

Molecular Weight

  • 250.2956
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-3-phenanthreneacetic acid
  • BRN 1881298
  • Propionic acid, 2-(3-phenanthryl)-

Systematic Name

  • 3-Phenanthreneacetic acid, alpha-methyl-

Registry Numbers

CAS Registry Number

  • 40453-15-4

System Generated Number

  • 0040453154

Structure Descriptors

InChI

1S/C17H14O2/c1-11(17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-11H,1H3,(H,18,19)

InChIKey

BQGDBXHKMJKCKX-UHFFFAOYSA-N

Smiles

CC(c1ccc2ccc3ccccc3c2c1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 129mg/kg (129mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 15, Pg. 1336, 1972.