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Substance Name: 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-3-(1H-imidazol-1-yl)-2-methyl-, cis-monohydrochloride
RN: 89781-78-2
InChIKey: LNCWBFBGADJNTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N2-O3.Cl-H

Molecular Weight

  • 294.7365
 
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Names and Synonyms

  • 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-3-(1H-imidazol-1-yl)-2-methyl-, cis-monohydrochloride

Registry Numbers

CAS Registry Number

  • 89781-78-2

System Generated Number

  • 0089781782

Molecular Formulas

Molecular Formula

  • C14-H14-N2-O3.Cl-H

Molecular Formula Fragments

  • C14-H14-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14N2O3.ClH/c1-9-12(16-5-4-15-8-16)7-11-6-10(14(17)18)2-3-13(11)19-9;/h2-6,8-9,12H,7H2,1H3,(H,17,18);1H

InChIKey

LNCWBFBGADJNTR-UHFFFAOYSA-N

Smiles

Cl.CC1Oc2ccc(cc2CC1n3ccnc3)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 423, 1991.