Xanthine, 8-butyl-1,3-dimethyl-
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
Precursor & DownStream
Precursor
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%