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Substance Name: Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, monohydrochloride, hydrate
RN: 79477-51-3
InChIKey: AKPKWIDQDYLTIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl2-N2-O6.Cl-H.H2-O

Molecular Weight

  • 419.6869
 
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Names and Synonyms

Synonym

  • Bactobolin monohydrochloride hydrate

Systematic Name

  • Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 79477-51-3

System Generated Number

  • 0079477513

Molecular Formulas

Molecular Formula

  • C14-H20-Cl2-N2-O6.Cl-H.H2-O

Molecular Formula Fragments

  • C14-H20-Cl2-N2-O6
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H20Cl2N2O6.ClH/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16;/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22);1H

InChIKey

AKPKWIDQDYLTIW-UHFFFAOYSA-N

Smiles

CC(C(=O)NC1C2C(C(CC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4500ug/kg (4.5mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 101, Pg. 132, 1981.