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Substance Name: 4H-1-Benzopyran-4-one, 2,3-dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, hydrochloride
RN: 34604-31-4
InChIKey: QKEHICADTZVCHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Weight

  • 311.807
 
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Names and Synonyms

Synonym

  • 2,3-Dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-4H-1-benzopyran-4-one hydrochloride

Systematic Name

  • 4H-1-Benzopyran-4-one, 2,3-dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 34604-31-4

System Generated Number

  • 0034604314

Molecular Formulas

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C16-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO3.ClH/c1-9(2)17-8-14(18)12-5-6-15-13(7-12)16(19)10(3)11(4)20-15;/h5-7,9,14,17-18H,8H2,1-4H3;1H

InChIKey

QKEHICADTZVCHC-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(o1)ccc(c2)[C@@H](CNC(C)C)O)=O)C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 223mg/kg (223mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 198, 1972.