Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Coumarin, 3-(alpha-acetonyl-o-iodobenzyl)-4-hydroxy-
RN: 13094-08-1
InChIKey: OIQHXWOTWBRAIK-UHFFFAOYSA-N

Molecular Formula

  • C19-H15-I-O4

Molecular Weight

  • 434.224
 
* 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-(alpha-Acetonyl-o-iodobenzyl)-4-hydroxycoumarin

Systematic Name

  • Coumarin, 3-(alpha-acetonyl-o-iodobenzyl)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 13094-08-1

System Generated Number

  • 0013094081

Structure Descriptors

InChI

1S/C19H15IO4/c1-11(21)10-14(12-6-2-4-8-15(12)20)17-18(22)13-7-3-5-9-16(13)24-19(17)23/h2-9,14,22H,10H2,1H3

InChIKey

OIQHXWOTWBRAIK-UHFFFAOYSA-N

Smiles

c1([C@@H](c2c(cccc2)I)CC(C)=O)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Therapie. Vol. 22, Pg. 207, 1967.