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Substance Name: Barbituric acid, 1,3-diphenyl-5-pentyl-2-thio-
RN: 73681-02-4
InChIKey: UQJGKOXATHYVEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O2-S

Molecular Weight

  • 366.483
 
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Names and Synonyms

Synonyms

  • 1,3-Diphenyl-5-pentyl-2-thiobarbituric acid
  • 5-24-09-00156 (Beilstein Handbook Reference)
  • BRN 0899131

Systematic Name

  • Barbituric acid, 1,3-diphenyl-5-pentyl-2-thio-

Registry Numbers

CAS Registry Number

  • 73681-02-4

System Generated Number

  • 0073681024

Structure Descriptors

InChI

1S/C21H22N2O2S/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3

InChIKey

UQJGKOXATHYVEF-UHFFFAOYSA-N

Smiles

N1(C(N(c2ccccc2)C(=O)C(C1=O)CCCCC)=S)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 342, 1964.