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Substance Name: Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-
RN: 73681-01-3
InChIKey: QTJHXTFHQHAQKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-N2-O2-S

Molecular Weight

  • 464.67
 
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Names and Synonyms

Synonyms

  • 1,3-Diphenyl-5-dodecyl-2-thiobarbituric acid
  • 5-24-09-00181 (Beilstein Handbook Reference)
  • BRN 0860743

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73681-01-3

System Generated Number

  • 0073681013

Structure Descriptors

InChI

1S/C28H36N2O2S/c1-2-3-4-5-6-7-8-9-10-17-22-25-26(31)29(23-18-13-11-14-19-23)28(33)30(27(25)32)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3

InChIKey

QTJHXTFHQHAQKQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 342, 1964.