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Substance Name: Uracil, 1-allyl-5-(dimethylamino)-6-methyl-3-phenyl-
RN: 32150-76-8
InChIKey: JLEMBEDQJILISF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N3-O2

Molecular Weight

  • 285.345
 
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Names and Synonyms

Synonyms

  • 1-Allyl-5-dimethylamino-6-methyl-3-phenyl-2,4(1H,3H)-pyrimidinedione
  • 1-Allyl-5-dimethylamino-6-methyl-3-phenyluracil
  • 2,4(1H,3H)-Pyrimidinedione, 1-allyl-5-dimethylamino-6-methyl-3-phenyl-
  • 5-25-15-00490 (Beilstein Handbook Reference)
  • BRN 0755013
  • SB-33

Systematic Name

  • Uracil, 1-allyl-5-(dimethylamino)-6-methyl-3-phenyl-

Registry Numbers

CAS Registry Number

  • 32150-76-8

System Generated Number

  • 0032150768

Structure Descriptors

InChI

1S/C16H19N3O2/c1-5-11-18-12(2)14(17(3)4)15(20)19(16(18)21)13-9-7-6-8-10-13/h5-10H,1,11H2,2-4H3

InChIKey

JLEMBEDQJILISF-UHFFFAOYSA-N

Smiles

c1ccccc1n1c(=O)c(N(C)C)c(C)n(CC=C)c1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 640mg/kg (640mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1179, 1974.
mouse LD50 oral 2550mg/kg (2550mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 67(5), Pg. 169P, 1971.
rat LD50 intraperitoneal 780mg/kg (780mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 67(5), Pg. 169P, 1971.
rat LD50 oral 2400mg/kg (2400mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 67(5), Pg. 169P, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.44 (none)   EXP
Water Solubility 880 mg/L 25 EST
Vapor Pressure 3.50E-09 mm Hg 25 EST
Henry's Law Constant 4.17E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.26E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.