Xanthine, 8-butyl-1,3-dimethyl-

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Names

[ CAS No. ]:
35873-40-6

[ Name ]:
Xanthine, 8-butyl-1,3-dimethyl-

[Synonym ]:
8-Butyltheophylline
Theophylline,8-butyl
8-butyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
8-n-butyl-1,3-dimethylxanthine
8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine
Xanthine,8-butyl-1,3-dimethyl
8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Butyl-theophyllin
8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion

Chemical & Physical Properties

[ Density]:
1.251g/cm3

[ Boiling Point ]:
468.6ºC at 760 mmHg

[ Molecular Formula ]:
C11H16N4O2

[ Molecular Weight ]:
236.27000

[ Flash Point ]:
237.2ºC

[ Exact Mass ]:
236.12700

[ PSA ]:
72.68000

[ LogP ]:
0.30290

[ Index of Refraction ]:
1.57

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5000000
CHEMICAL NAME :
Theophylline, 8-butyl-
CAS REGISTRY NUMBER :
35873-40-6
BEILSTEIN REFERENCE NO. :
0235783
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O2
MOLECULAR WEIGHT :
236.31
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C4 F1 H1

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 :
250 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pentanamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-

DownStream

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

  • Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio-
  • 5-tert-butyl-1,3-dimethyl-1,3,5-triazinan-2-one
  • 7-tert-butyl-1,3-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
  • Theophylline, 8-butyl-, hydrochloride
  • 3,7-Dihydro-8-(4-hydroxybutyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 1,3-Dimethyl-8-(cyclohexylmethyl)xanthine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • C28H24N4O3S