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Substance Name: Coumarin, 3-(alpha-acetonyl-m-iodobenzyl)-4-hydroxy-
RN: 13021-89-1
InChIKey: XHZSRUAGKOBFMF-UHFFFAOYSA-N

Molecular Formula

  • C19-H15-I-O4

Molecular Weight

  • 434.224
 
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Names and Synonyms

Synonym

  • 3-(alpha-Acetonyl-m-iodobenzyl)-4-hydroxycoumarin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 13021-89-1

System Generated Number

  • 0013021891

Structure Descriptors

InChI

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

InChIKey

XHZSRUAGKOBFMF-UHFFFAOYSA-N

Smiles

c1([C@@H](c2cc(ccc2)I)CC(C)=O)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4gm/kg (4000mg/kg)   Therapie. Vol. 22, Pg. 207, 1967.