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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride
RN: 70311-23-8
InChIKey: MVTQMQOUTRFYBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O4-S.2Cl-H

Molecular Weight

  • 518.4631
 
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Names and Synonyms

  • 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 70311-23-8

System Generated Number

  • 0070311238

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O4-S.2Cl-H

Molecular Formula Fragments

  • C21-H27-N5-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N5O4S.2ClH/c1-13-16(25-12-24-13)11-31-6-5-22-21-23-10-15(20(27)26-21)7-14-8-17(28-2)19(30-4)18(9-14)29-3;;/h8-10,12H,5-7,11H2,1-4H3,(H,24,25)(H2,22,23,26,27);2*1H

InChIKey

MVTQMQOUTRFYBV-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3cc(c(c(c3)OC)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78809ug/kg (78.809mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.