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ChemicalBook--->CAS DataBase List--->69975-86-6

69975-86-6

69975-86-6 Structure

69975-86-6 Structure
IdentificationMore
[Name]

Doxofylline
[CAS]

69975-86-6
[Synonyms]

7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione
DOXOFYLLINE
DOXOPHYLLINE
2-(7’-teofillinmetil)-1,3-diossolano
2-(7’-theophyllinemethyl)-1,3-dioxolane
3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-1h-purine-6-dione
7-(1,3-dioxolan-2-ylmethyl)-theophyllin
7-(1,3-dioxolan-2-ylmethyl)theophylline
abc12/3
ansimar
dioxyfilline
Doxofyliine
7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
DOXOFYLLINE [7-(1,3-DIOXOLAN-2-YLMETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE]
MAXIVENT
Ansirnar
Doxof3rlline
ventax
Dioxyphylline
[EINECS(EC#)]

274-239-6
[Molecular Formula]

C11H14N4O4
[MDL Number]

MFCD00865218
[Molecular Weight]

266.25
[MOL File]

69975-86-6.mol
Chemical PropertiesBack Directory
[Melting point ]

144-146°C
[Boiling point ]

409.46°C (rough estimate)
[density ]

1.2896 (rough estimate)
[refractive index ]

1.6000 (estimate)
[RTECS ]

XH5135000
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

0.42±0.70(Predicted)
[color ]

White to Off-White
[Water Solubility ]

Soluble
[Merck ]

14,3438
[InChI]

InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
[InChIKey]

HWXIGFIVGWUZAO-UHFFFAOYSA-N
[SMILES]

N1(CC2OCCO2)C2=C(N(C)C(=O)N(C)C2=O)N=C1
[CAS DataBase Reference]

69975-86-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[HS Code ]

29399990
[Toxicity]

LD50 in mice (mg/kg): 841 orally; 215.6 i.v.; in rats: 1022.4 orally, 445 i.p. (Franzone)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic acid-->Theophylline-->3-Chloro-1,2-propanediol-->Trichloroparaldehyde-->2-Chloromethyl-1,3-dioxolane-->2-Bromomethyl-1,3-dioxolane-->Ethylene glycol
Hazard InformationBack Directory
[Description]

Doxofylline, a xanthine bronchodilator related to theophylline, is useful in the treatment of asthma and similar bronchospastic disorders. It has minimal activity on intestinal smooth muscle and the cardiovascular system, and is reportedly devoid of the behavioral effects of theophylline.
[Originator]

ABC S.p.A. (Italy)
[Uses]

Doxofylline is a xanthine molecule that appears to be both bronchodilator and anti-inflammatory with an improved therapeutic window over conventional xanthines such as Theophylline and the evidence su pporting the effects of Doxofylline in the treatment of lung diseases.
[Uses]

H1 antihistamine
[Definition]

ChEBI: Doxofylline is an oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. It has a role as a bronchodilator agent, an antitussive and an anti-asthmatic drug. It is functionally related to a 7H-xanthine.
[Brand name]

Maxivent (Roberts Pharmaceutical);ANSIMAR.
Spectrum DetailBack Directory
[Spectrum Detail]

Doxofylline(69975-86-6)1HNMR
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