CAS No.55242-55-2,PROPENTOFYLLINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	55242-55-2
Name:	PROPENTOFYLLINE
Article Data:	7

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

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Specification

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.