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Substance Name: Coumarin, 4-hydroxy-6-iodo-3-(1-naphthyl-3-oxobutyl)-
RN: 13021-90-4
InChIKey: NORMYKTUVIEQCH-UHFFFAOYSA-N

Molecular Formula

  • C23-H17-I-O4

Molecular Weight

  • 484.283
 
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Names and Synonyms

Synonym

  • 4-Hydroxy-6-iodo-3-(1-naphthyl-3-oxobutyl)coumarin

Systematic Name

  • Coumarin, 4-hydroxy-6-iodo-3-(1-naphthyl-3-oxobutyl)-

Registry Numbers

CAS Registry Number

  • 13021-90-4

System Generated Number

  • 0013021904

Structure Descriptors

InChI

1S/C23H17IO4/c1-13(25)11-18(17-8-4-6-14-5-2-3-7-16(14)17)21-22(26)19-12-15(24)9-10-20(19)28-23(21)27/h2-10,12,18,26H,11H2,1H3

InChIKey

NORMYKTUVIEQCH-UHFFFAOYSA-N

Smiles

c1([C@@H](c2c(c3c(ccc(c3)I)oc2=O)O)CC(C)=O)c2c(ccc1)cccc2

Toxicity

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