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Substance Name: Proxyphylline [INN:BAN:JAN]
RN: 603-00-9
UNII: 13G1DMN4P0
InChIKey: KYHQZNGJUGFTGR-UHFFFAOYSA-N

Classification Codes

  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Drug / Therapeutic Agent
  • Peripheral Nervous System Agents
  • Respiratory System Agents

Molecular Formula

  • C10-H14-N4-O3

Molecular Weight

  • 238.2456
 
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Names and Synonyms

Name of Substance

  • Proxyphylline
  • Proxyphylline [INN:BAN:JAN]

Synonyms

  • 1,3-Dimethyl-7-(2-hydroxypropyl)xanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-
  • 2-Hydroxypropyl-7-theophylline
  • 3,7-Dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(2-Hydroxypropyl)theophylline
  • 7-(beta-Hydroxypropyl)-1,3-dimethylxanthine
  • 7-(beta-Hydroxypropyl)theophylline
  • beta-Oxypropyltheophyllin
  • Brontyl
  • EINECS 210-028-7
  • Hydroxypropyltheophylline
  • Monophylline
  • MT
  • NSC 163343
  • Oxypropyltheophylline
  • Proxifilina
  • Proxifilina [INN-Spanish]
  • Proxiphylline
  • Proxiphyllinum
  • Proxy-Retardoral
  • Proxyphylline
  • Proxyphyllinum
  • Proxyphyllinum [INN-Latin]
  • Purophyllin
  • Sanwaphyllin
  • Sigophyl
  • Spasmolysin
  • Thean
  • Theoden
  • Theon
  • UNII-13G1DMN4P0

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl- (9CI)
  • 7-(2-Hydroxypropyl)theophylline
  • Proxyphylline
  • Theophylline, 7-(2-hydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 603-00-9

FDA UNII

  • 13G1DMN4P0

System Generated Number

  • 0000603009

Structure Descriptors

InChI

1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3

InChIKey

KYHQZNGJUGFTGR-UHFFFAOYSA-N

Smiles

CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 505mg/kg (505mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.
mouse LD50 intravenous 475mg/kg (475mg/kg)   Drugs in Japan Vol. -, Pg. 1178, 1995.
mouse LD50 oral 739mg/kg (739mg/kg)   Drugs in Japan Vol. -, Pg. 1178, 1995.
mouse LD50 subcutaneous 410mg/kg (410mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 601, 1956.
rat LD50 intraperitoneal 445mg/kg (445mg/kg)   Drugs in Japan Vol. 6, Pg. 720, 1982.
rat LD50 intravenous 430mg/kg (430mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 845, 1980.
rat LD50 oral 460mg/kg (460mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 845, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135.5 deg C   EXP
log P (octanol-water) -0.77 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 5.66E-12 mm Hg 25 EST
Henry's Law Constant 2.31E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-11 cm3/molecule-sec 25 EST

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