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Substance Name: Propanamide, N-(1-(4-(4-fluorophenyl)-4-oxobutyl)decahydro-4-quinolinyl)-N-phenyl-, (4-alpha,4a-beta,8a-alpha)-
RN: 75786-57-1
InChIKey: URIFUIUJMWVYAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-F-N2-O2

Molecular Weight

  • 450.5945
 
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Names and Synonyms

Synonym

  • 4-((N-Phenyl-N-propionyl)amino)-1-(3-(4-fluorobenzoyl)propyl)-trans-decahydroquinoline

Systematic Name

  • Propanamide, N-(1-(4-(4-fluorophenyl)-4-oxobutyl)decahydro-4-quinolinyl)-N-phenyl-, (4-alpha,4a-beta,8a-alpha)-

Registry Numbers

CAS Registry Number

  • 75786-57-1

System Generated Number

  • 0075786571

Structure Descriptors

InChI

1S/C28H35FN2O2/c1-2-28(33)31(23-9-4-3-5-10-23)26-18-20-30(25-12-7-6-11-24(25)26)19-8-13-27(32)21-14-16-22(29)17-15-21/h3-5,9-10,14-17,24-26H,2,6-8,11-13,18-20H2,1H3

InChIKey

URIFUIUJMWVYAY-UHFFFAOYSA-N

Smiles

CCC(=O)N(c1ccccc1)C2CCN(C3C2CCCC3)CCCC(=O)c4ccc(cc4)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55mg/kg (55mg/kg)   United States Patent Document. Vol. #4173636,
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4173636,
mouse LD50 subcutaneous 550mg/kg (550mg/kg)   United States Patent Document. Vol. #4173636,
rat LD50 intraperitoneal 55mg/kg (55mg/kg)   United States Patent Document. Vol. #4173636,
rat LD50 oral 350mg/kg (350mg/kg)   United States Patent Document. Vol. #4173636,