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Substance Name: 1-Benzyl-2,8-dimethylimidazo(1,2-f)xanthylidene-3-thiobarbituric acid
RN: 91456-79-0
InChIKey: WQBNVRLVECOKHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N7-O4-S

Molecular Weight

  • 463.4763
 
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Names and Synonyms

Results Name

  • 1-Benzyl-2,8-dimethylimidazo(1,2-f)xanthylidene-3-thiobarbituric acid

Synonyms

  • 1-Benzyl-2,8-dimethylimidazo(1,2-f)xanthylidene-3-thiobarbituric acid
  • BRN 5678017

Systematic Name

  • 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 91456-79-0

System Generated Number

  • 0091456790

Structure Descriptors

InChI

1S/C21H17N7O4S/c1-10-13(8-12-16(29)23-19(33)24-17(12)30)28-14-15(26(2)21(32)25-18(14)31)22-20(28)27(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,25,31,32)(H2,23,24,29,30,33)

InChIKey

WQBNVRLVECOKHE-UHFFFAOYSA-N

Smiles

CN1C(=O)NC(=O)c2c1nc3n(Cc4ccccc4)c(C)c(C=C5C(=O)NC(=S)NC5=O)n23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 405mg/kg (405mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 18, Pg. 171, 1984.