7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Names
[ CAS No. ]:
5096-27-5
[ Name ]:
7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
[Synonym ]:
7-<2-Hydroxy-3-diallylamino-propyl>-theophyllin
Chemical & Physical Properties
[ Density]:
1.23g/cm3
[ Boiling Point ]:
551.1ºC at 760 mmHg
[ Molecular Formula ]:
C16H23N5O3
[ Molecular Weight ]:
333.38600
[ Flash Point ]:
287.1ºC
[ Exact Mass ]:
333.18000
[ PSA ]:
85.29000
[ Index of Refraction ]:
1.597
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5093924
- CHEMICAL NAME :
- Theophylline, 7-(3-(diallylamino)-2-hydroxypropyl)-
- CAS REGISTRY NUMBER :
- 5096-27-5
- BEILSTEIN REFERENCE NO. :
- 0572671
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H23-N5-O3
- MOLECULAR WEIGHT :
- 333.44
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 :
- 455 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,475,1965
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%