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Substance Name: Uracil, 3-(3-chloro-4-isopropoxybenzyl)-5-fluoro-
RN: 102613-22-9
InChIKey: DDJAOCAJOUNAQT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-F-N2-O3

Molecular Weight

  • 312.7266
 
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Names and Synonyms

Synonym

  • 3-(3-Chloro-4-isopropoxybenzyl)-5-fluorouracil

Systematic Name

  • Uracil, 3-(3-chloro-4-isopropoxybenzyl)-5-fluoro-

Registry Numbers

CAS Registry Number

  • 102613-22-9

System Generated Number

  • 0102613229

Structure Descriptors

InChI

1S/C14H14ClFN2O3/c1-8(2)21-12-4-3-9(5-10(12)15)7-18-13(19)11(16)6-17-14(18)20/h3-6,8H,7H2,1-2H3,(H,17,20)

InChIKey

DDJAOCAJOUNAQT-UHFFFAOYSA-N

Smiles

CC(C)Oc1ccc(cc1Cl)Cn2c(=O)c(c[nH]c2=O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 586, 1978.