1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)
Names
[ CAS No. ]:
1807-85-8
[ Name ]:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)
[Synonym ]:
Theophylline,7-benzyl
7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
benzyl-7 dimethyl-1,3 xanthine
7-benzyl-1,3-dimethyl-3,7-dihydropurine-2,6-dione
7-benzyl-1,3-dimethylxanthine
7-benzyltheophylline
N-Benzyl xanthine
7-benzyl-3,7-dimethylxanthine
Chemical & Physical Properties
[ Density]:
1.33g/cm3
[ Boiling Point ]:
489.6ºC at 760 mmHg
[ Molecular Formula ]:
C14H14N4O2
[ Molecular Weight ]:
270.28700
[ Flash Point ]:
249.9ºC
[ Exact Mass ]:
270.11200
[ PSA ]:
61.82000
[ LogP ]:
0.48200
[ Vapour Pressure ]:
9.87E-10mmHg at 25°C
[ Index of Refraction ]:
1.67
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH4790000
- CHEMICAL NAME :
- Theophylline, 7-benzyl-
- CAS REGISTRY NUMBER :
- 1807-85-8
- BEILSTEIN REFERENCE NO. :
- 0305370
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H14-N4-O2
- MOLECULAR WEIGHT :
- 270.32
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 :
- 228 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956