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Substance Name: Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-allyl-8-methoxy-, methanesulfonate
RN: 79513-56-7
InChIKey: ZXMROQGXFVAPNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N3-O.C-H4-O3-S

Molecular Weight

  • 339.4139
 
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Names and Synonyms

Synonym

  • 1-Allyl-8-methoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate

Systematic Name

  • Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-allyl-8-methoxy-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 79513-56-7

System Generated Number

  • 0079513567

Molecular Formulas

Molecular Formula

  • C14-H17-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C14-H17-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C14H17N3O.CH4O3S/c1-3-7-16-8-4-9-17-13-6-5-11(18-2)10-12(13)15-14(16)17;1-5(2,3)4/h3,5-6,10H,1,4,7-9H2,2H3;1H3,(H,2,3,4)

InChIKey

ZXMROQGXFVAPNE-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)nc3n2CCCN3CC=C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 840mg/kg (840mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 327, 1981.