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Substance Name: Ammonium, ((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethyl-, chloride
RN: 96616-39-6
InChIKey: YPTFGKOPDLNCLQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N-O4.Cl

Molecular Weight

  • 323.7742
 
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Names and Synonyms

Synonym

  • ((9-Methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethylammonium chloride

Systematic Name

  • Ammonium, ((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 96616-39-6

System Generated Number

  • 0096616396

Molecular Formulas

Molecular Formula

  • C16-H18-N-O4.Cl

Molecular Formula Fragments

  • C16-H18-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18NO4.ClH/c1-17(2,3)9-12-10-5-6-13(18)21-15(10)16(19-4)14-11(12)7-8-20-14;/h5-8H,9H2,1-4H3;1H/q+1;/p-1

InChIKey

YPTFGKOPDLNCLQ-UHFFFAOYSA-M

Smiles

[Cl-].COc1c2OC(=O)C=Cc2c(C[N+](C)(C)C)c3ccoc13

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1001, 1985.