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Substance Name: 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine
RN: 85872-51-1
UNII: ET7OKC2MCY
InChIKey: SENJBFBVCXOUFE-UHFFFAOYSA-N

Classification Codes

  • Adenosine A1 Receptor Antagonists
  • Antineoplastic Agents
  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P1 Receptor Antagonists

Molecular Formula

  • C17-H20-Cl-N5-O2

Molecular Weight

  • 361.831
 
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Names and Synonyms

Name of Substance

  • 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine

Synonyms

  • PACPX
  • PAPCX
  • UNII-ET7OKC2MCY

Systematic Name

  • 1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl

Registry Numbers

CAS Registry Number

  • 85872-51-1

FDA UNII

  • ET7OKC2MCY

System Generated Number

  • 0085872511

Structure Descriptors

InChI

1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)

InChIKey

SENJBFBVCXOUFE-UHFFFAOYSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3N)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.02 (none)   EXP
Water Solubility 1.940 mg/L 25 EST
Vapor Pressure 1.70E-15 mm Hg 25 EST
Henry's Law Constant 1.05E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-10 cm3/molecule-sec 25 EST

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