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CAS No.: | 55242-55-2 |
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Name: | PROPENTOFYLLINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C15H22N4O3 |
Molecular Weight: | 306.365 |
Synonyms: | 1-(5-Oxohexyl)-3-methyl-7-propylxanthine;3,7-Dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6-dione;3-Methyl-1-(5-oxohexyl)-7-propylxanthine;Albert 285;HOE 285;HWA 285;Hextol;Karsivan;Propentofylline;Propentophylline;albert-285; |
Density: | 1.25 g/cm3 |
Melting Point: | 64-66 °C |
Boiling Point: | 541.4 °C at 760 mmHg |
Flash Point: | 281.2 °C |
Appearance: | Off-White Solid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
PSA: | 78.89000 |
LogP: | 1.06600 |
The cas register number of Propentofylline is 55242-55-2. It also can be called as 3-Methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione and the IUPAC Name about this chemical is 3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione. It belongs to the following product categories, such as All Inhibitors, Inhibitors, Intermediates & Fine Chemicals, Pharmaceuticals and so on. This chemical is harmful by inhalation, in contact with skin and if swallowed.
Physical properties about Propentofylline are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1.38; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 6.64; (5)ACD/BCF (pH 7.4): 6.64; (6)ACD/KOC (pH 5.5): 134.9; (7)ACD/KOC (pH 7.4): 134.9; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 75.51Å2; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 83.49 cm3; (13)Molar Volume: 243.4 cm3; (14)Polarizability: 33.1x10-24cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Enthalpy of Vaporization: 81.93 kJ/mol; (17)Boiling Point: 541.4 °C at 760 mmHg; (18)Vapour Pressure: 8.71E-12 mmHg at 25°C.
Propentofylline is a phosphodiesterase inhibitor and it acts as an adenosine reuptake inhibitor. This chemical can be used as a possible treatment for Alzheimer's disease and multi-infarct dementia and it can be used in the treatment of ischemic stroke, due to its vasodilating properties.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)CCC)C
(2)InChI: InChI=1/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
(3)InChIKey: RBQOQRRFDPXAGN-UHFFFAOYAK
(4)Std. 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
(5)Std. InChIKey: RBQOQRRFDPXAGN-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 346mg/kg (346mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | 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) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986. |
mouse | LD50 | subcutaneous | 450mg/kg (450mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | 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: 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. |
rat | LD50 | intraperitoneal | 196mg/kg (196mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986. |
rat | LD50 | intravenous | 180mg/kg (180mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986. |
rat | LD50 | oral | 940mg/kg (940mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986. |
rat | LD50 | subcutaneous | 338mg/kg (338mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Oyo Yakuri. Pharmacometrics. Vol. 31, Pg. 357, 1986. |