benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Names
[ CAS No. ]:
102288-42-6
[ Name ]:
benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
[Synonym ]:
1H-Purine-2,6-dione,7-[2-(benzoyloxy)-3-[bis(2-methylpropyl)amino]propyl]-3,7-dihydro-1,3-dimethyl
7-(3-Diisobutylamino-2-benzoyloxypropyl)-theophyllin
7-<2-Benzoyloxy-3-diisobutylamino-propyl>-theophyllin
7-(3'-Diisobutylamino-2'-benzoyloxypropyl)theophylline
Theophylline,7-[3-(diisobutylamino)-2-hydroxypropyl]-,benzoate (7CI)
7-(2-benzoyloxy-3-diisobutylamino-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.2g/cm3
[ Boiling Point ]:
619.5ºC at 760mmHg
[ Molecular Formula ]:
C25H37N5O5
[ Molecular Weight ]:
487.59200
[ Flash Point ]:
328.5ºC
[ Exact Mass ]:
487.27900
[ PSA ]:
122.59000
[ LogP ]:
1.79340
[ Vapour Pressure ]:
0mmHg at 25°C
[ Index of Refraction ]:
1.591
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5107120
- CHEMICAL NAME :
- Theophylline, 7-(3-(diisobutylamino)-2-hydroxypropyl)-, benzoate
- CAS REGISTRY NUMBER :
- 102288-42-6
- BEILSTEIN REFERENCE NO. :
- 0596893
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C25-H35-N5-O4
- MOLECULAR WEIGHT :
- 469.65
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 :
- 1680 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 56(4),180S,1960