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Substance Name: Propentofylline [INN:BAN:JAN]
RN: 55242-55-2
UNII: 5RTA398U4H
InChIKey: RBQOQRRFDPXAGN-UHFFFAOYSA-N

Classification Codes

  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Neuroprotective Agents
  • Protective Agents

Molecular Formula

  • C15-H22-N4-O3

Molecular Weight

  • 306.364
 
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Names and Synonyms

Name of Substance

  • Propentofylline
  • Propentofylline [INN:BAN:JAN]

Synonyms

  • 3,7-Dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6-dione
  • 5-26-14-00082 (Beilstein Handbook Reference)
  • Albert-285
  • BRN 1156290
  • Hextol
  • HOE-285
  • HWA 285
  • Karsivan
  • NSC 752424
  • Propentofylina
  • Propentofylina [INN-Spanish]
  • Propentofylline
  • Propentofyllinum
  • Propentofyllinum [INN-Latin]
  • Propentophylline
  • UNII-5RTA398U4H

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-
  • 3-Methyl-1-(5-oxohexyl)-7-propylxanthine

Registry Numbers

CAS Registry Number

  • 55242-55-2

FDA UNII

  • 5RTA398U4H

System Generated Number

  • 0055242552

Structure Descriptors

InChI

InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3

InChIKey

RBQOQRRFDPXAGN-UHFFFAOYSA-N

Smiles

CCCn1cnc2N(C)C(=O)N(CCCCC(=O)C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 346mg/kg (346mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
mouse LD50 intravenous 107mg/kg (107mg/kg)   United States Patent Document. Vol. #4289776,
mouse LD50 oral 780mg/kg (780mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
mouse LD50 subcutaneous 450mg/kg (450mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rabbit LD50 intravenous 89mg/kg (89mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rabbit LD50 oral 405mg/kg (405mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rat LD50 intraperitoneal 196mg/kg (196mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rat LD50 intravenous 180mg/kg (180mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rat LD50 oral 940mg/kg (940mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.
rat LD50 subcutaneous 338mg/kg (338mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69 deg C   EXP
log P (octanol-water) 1.540 (none)   EST
Water Solubility 3.20E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 3.28E-11 cm3/molecule-sec 25 EST

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