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Substance Name: 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-, hydrochloride
RN: 70070-03-0
InChIKey: KFTNCZRZDYTHJG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O3.Cl-H

Molecular Weight

  • 363.882
 
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Names and Synonyms

Synonyms

  • 1-(N-Benzyl-N-methyl)aminomethyl-6,7-dimethoxyisochroman hydrochloride
  • 3,4-Dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-1H-2-benzopyran-1-methanamine HCl

Systematic Name

  • 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 70070-03-0

System Generated Number

  • 0070070030

Molecular Formulas

Molecular Formula

  • C20-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26NO3.ClH/c1-21(2,14-15-8-6-5-7-9-15)20-17-13-19(23-4)18(22-3)12-16(17)10-11-24-20;/h5-9,12-13,20H,10-11,14H2,1-4H3;1H/q+1;/p-1

InChIKey

KFTNCZRZDYTHJG-UHFFFAOYSA-M

Smiles

c12c(cc(OC)c(c2)OC)CCO[C@@H]1[N+](Cc1ccccc1)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 16, Pg. 793, 1978.