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Substance Name: Pentoxifylline [USAN:USP:INN:BAN:JAN]
RN: 6493-05-6
UNII: SD6QCT3TSU
InChIKey: BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Note
- A METHYLXANTHINE derivative that inhibits phosphodiesterase and affects blood rheology. It improves blood flow by increasing erythrocyte and leukocyte flexibility. It also inhibits platelet aggregation. Pentoxifylline modulates immunologic activity by stimulating cytokine production.
Molecular Formula
- C13-H18-N4-O3
Molecular Weight
- 278.3102
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Antioxidants
- Antiviral (COVID-19)
- Cardiovascular Agents
- Drug / Therapeutic Agent
- Enzyme Inhibitors
- Free Radical Scavengers
- Hematologic Agents
- Human Data
- Mutation Data
- Phosphodiesterase Inhibitors
- Platelet Aggregation Inhibitors
- Protective Agents
- Radiation-Protective Agents
- Reproductive Effect
- Vasodilator
- Vasodilator Agents
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Names and Synonyms
Name of Substance
- Pentoxifylline
- Pentoxifylline [USAN:USP:INN:BAN:JAN]
MeSH Heading
- Pentoxifylline
Synonyms
- 1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
- 1-(5-Oxohexyl)-3,7-dimethylxanthine
- 1-(5-Oxohexyl)theobromine
- 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
- 3,7-Dimethyl-1-(5-oxohexyl) xantine
- 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
- 3,7-Dimethyl-1-(5-oxohexyl)xanthine
- 3,7-Dimethyl-1-(5-oxohexyl)xantine
- 5-26-14-00081 (Beilstein Handbook Reference)
- BL 191
- BRN 0558929
- CCRIS 6832
- Dimethyloxohexylxanthine
- EHT 0202
- EINECS 229-374-5
- NSC 637086
- Oxpentifylline
- Pentoxifilina
- Pentoxifilina [INN-Spanish]
- Pentoxifyllin
- Pentoxifylline
- Pentoxifyllinum
- Pentoxifyllinum [INN-Latin]
- Pentoxil
- Pentoxiphylline
- Pentoxiphyllium
- Pentoxyfilline
- Pentoxyfylline
- Pentoxyphylline
- Theobromine, 1-(5-oxohexyl)-
- Trental
- UNII-SD6QCT3TSU
- Vazofirin
Systematic Names
- 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
- Pentoxifylline
- Theobromine, 1-(5-oxohexyl)-
Registry Numbers
CAS Registry Number
- 6493-05-6
FDA UNII
- SD6QCT3TSU
System Generated Number
- 0006493056
Structure Descriptors
InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3InChIKey
BYPFEZZEUUWMEJ-UHFFFAOYSA-NSmiles
CN1C(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 239mg/kg (239mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1446, 1971. | |
mouse | LD50 | intravenous | 108mg/kg (108mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 267, 1977. | |
mouse | LD50 | oral | 1225mg/kg (1225mg/kg) | Drugs in Japan Vol. 6, Pg. 779, 1982. | |
mouse | LD50 | subcutaneous | 480mg/kg (480mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 267, 1977. | |
rabbit | LD50 | intravenous | 100mg/kg (100mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 267, 1977. | |
rat | LD50 | intraperitoneal | 230mg/kg (230mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 13, 1981. |
rat | LD50 | intravenous | 231mg/kg (231mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1446, 1971. | |
rat | LD50 | oral | 1170mg/kg (1170mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 13, 1981. |
rat | LD50 | subcutaneous | 375mg/kg (375mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 153, 1978. | |
women | TDLo | oral | 80mg/kg (80mg/kg) | CARDIAC: PULSE RATE | British Medical Journal. Vol. 288, Pg. 26, 1984. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 0.29 | (none) | EXP | |
Water Solubility | 7.70E+04 | mg/L | 25 | EXP |
Vapor Pressure | 1.22E-10 | mm Hg | 25 | EST |
Henry's Law Constant | 5.63E-14 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.04E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.