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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride
RN: 122113-26-2
InChIKey: KFWBNTCWZOTWBM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O3.Cl-H

Molecular Weight

  • 376.8419
 
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Names and Synonyms

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 122113-26-2

System Generated Number

  • 0122113262

Molecular Formulas

Molecular Formula

  • C18-H20-N4-O3.Cl-H

Molecular Formula Fragments

  • C18-H20-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N4O3.ClH/c1-21-16(23)8-12-9-19-18(20-17(12)21)22-5-4-11-6-14(24-2)15(25-3)7-13(11)10-22;/h6-7,9H,4-5,8,10H2,1-3H3;1H

InChIKey

KFWBNTCWZOTWBM-UHFFFAOYSA-N

Smiles

CN1c2c(cnc(n2)N3CCc4cc(c(cc4C3)OC)OC)CC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5304555,