8-Cyclobutyl theophylline

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Names

[ Name ]:
8-Cyclobutyl theophylline

[Synonym ]:
8-cyclobutyl-1,3-dimethyl-3,9-dihydro-1h-purine-2,6-dione
8-Cyclobutyl theophylline
Theophylline,8-cyclobutyl
8-Cyclobutyl-theophyllin
Xanthine,3-cyclobutyl-1,3-dimethyl
8-cyclobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.389g/cm3

[ Boiling Point ]:
508.8ºC at 760 mmHg

[ Molecular Formula ]:
C₁₁H₁₄N₄O₂

[ Molecular Weight ]:
234.25400

[ Flash Point ]:
261.5ºC

[ Exact Mass ]:
234.11200

[ PSA ]:
72.68000

[ LogP ]:
0.22780

[ Index of Refraction ]:
1.627

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093300

CHEMICAL NAME :: Theophylline, 8-cyclobutyl-

CAS REGISTRY NUMBER :: 35873-48-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-N4-O2

MOLECULAR WEIGHT :: 234.29

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ F1 H1 C- AL4TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

Safety Information

[ HS Code ]:
2933990090

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

8-cyclobutyl-3-pentyl-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
8-Cyclobutyl-8-oxooctanoic acid
8-THEOPHYLLINE MERCURIC ACETATE
ethyl 8-cyclobutyl-8-oxooctanoate
(2E)-8-cyclobutyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dione 2-hydrazone
5-Amino-8-cyclobutyl-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-one
4-Ethyl-2,2-dimethylhexanoic acid
2-Methyl-1-[(phenylmethoxy)methyl]-1h-indole-3-carboxylic acid ethyl ester
2-Ethyl-1-[(phenylmethoxy)methyl]-1h-indole-3-carboxylic acid ethyl ester
2-Methyl-1-[(4-methylphenyl)sulfonyl]-1h-indole-3-carboxylic acid ethyl ester
2-Methyl-1h-indole-1,3-dicarboxylic acid 1,3-diethyl ester
2-(2-Hydroxy-2-methylpropyl)-5-methoxy-1-methyl-1h-indole-3-carboxylic acid ethyl ester
2-(2-Hydroxy-2-phenylethyl)-5-methoxy-1-methyl-1h-indole-3-carboxylic acid ethyl ester
5-(3-Azetidinyl)-1-(cyclopropylmethyl)-3-iodo-1h-pyrazole
2-(Cyclohexylidenemethyl)-5-methoxy-1-methyl-1h-indole-3-carboxylic acid
2-(2,2-Diphenylethenyl)-5-methoxy-1-methyl-1h-indole-3-carboxylic acid

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