Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Coumarin, 3-((2-(diisobutylamino)ethyl)carbamoyl)-4-hydroxy-, monohydrochloride
RN: 1245-33-6
InChIKey: JYTNUSYTYUSJCP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O4.Cl-H

Molecular Weight

  • 396.912
 
* 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

  • 3-((2-(Diisobutylamino)ethyl)carbamoyl)-4-hydroxycoumarin hydrochloride

Systematic Name

  • Coumarin, 3-((2-(diisobutylamino)ethyl)carbamoyl)-4-hydroxy-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 1245-33-6

System Generated Number

  • 0001245336

Molecular Formulas

Molecular Formula

  • C20-H28-N2-O4.Cl-H

Molecular Formula Fragments

  • C20-H28-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N2O4.ClH/c1-13(2)11-22(12-14(3)4)10-9-21-19(24)17-18(23)15-7-5-6-8-16(15)26-20(17)25;/h5-8,13-14,23H,9-12H2,1-4H3,(H,21,24);1H

InChIKey

JYTNUSYTYUSJCP-UHFFFAOYSA-N

Smiles

c12c(oc(=O)c(c1O)C(NCC[NH+](CC(C)C)CC(C)C)=O)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.