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Substance Name: Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-6-iodo-
RN: 13021-91-5
InChIKey: YCFDYVCPLPBSET-UHFFFAOYSA-N

Molecular Formula

  • C19-H15-I-O4

Molecular Weight

  • 434.224
 
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Names and Synonyms

Synonym

  • 3-(alpha-Acetonylbenzyl)-4-hydroxy-6-iodocoumarin

Systematic Name

  • Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-6-iodo-

Registry Numbers

CAS Registry Number

  • 13021-91-5

System Generated Number

  • 0013021915

Structure Descriptors

InChI

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

InChIKey

YCFDYVCPLPBSET-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)CC(C)=O)c(c2c(ccc(c2)I)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   Therapie. Vol. 22, Pg. 207, 1967.