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Substance Name: Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
RN: 91918-77-3
InChIKey: OANCEOGZLQLTPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N4-O3-S2

Molecular Weight

  • 424.5034
 
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Names and Synonyms

Synonym

  • 6-Phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl thiocyanate

Systematic Name

  • Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester

Registry Numbers

CAS Registry Number

  • 91918-77-3

System Generated Number

  • 0091918773

Structure Descriptors

InChI

1S/C20H16N4O3S2/c1-25-14-9-13(10-15(26-2)17(14)27-3)18-23-24-19(28-11-21)16(22-20(24)29-18)12-7-5-4-6-8-12/h4-10H,1-3H3

InChIKey

OANCEOGZLQLTPE-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2nn3c(c(nc3s2)c4ccccc4)SC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 39, Pg. 585, 1984.
rat LD intraperitoneal > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 39, Pg. 585, 1984.