Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-isobutylaminopropoxy)-4-methyl-, hydrochloride
RN: 63446-04-8
InChIKey: NXXKZYVYWUPSJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N-O6.Cl-H

Molecular Weight

  • 401.884
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 6-(3-Isobutylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride

Systematic Name

  • Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-isobutylaminopropoxy)-4-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63446-04-8

System Generated Number

  • 0063446048

Molecular Formulas

Molecular Formula

  • C19-H27-N-O6.Cl-H

Molecular Formula Fragments

  • C19-H27-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27NO6.ClH/c1-11(2)8-20-9-13(21)10-25-15-7-14-12(3)6-16(22)26-17(14)19(24-5)18(15)23-4;/h6-7,11,13,20-21H,8-10H2,1-5H3;1H

InChIKey

NXXKZYVYWUPSJG-UHFFFAOYSA-N

Smiles

c12c(cc(OC[C@@H](C[NH2+]CC(C)C)O)c(c1OC)OC)c(cc(o2)=O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 657, 1977.