1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)-
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Names
[ CAS No. ]:
1029-62-5
[ Name ]:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(3-pyridinyl)-
[Synonym ]:
8-<3-Pyridyl>-theophyllin
8-(pyridin-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
8-<Pyridyl-(3)>-theophyllin
1,3-dimethyl-8-pyridin-3-yl-3,7(9)-dihydro-purine-2,6-dione
8-(3-Pyridyl)theophylline
Theophylline,8-(3-pyridyl)
Chemical & Physical Properties
[ Density]:
1.417g/cm3
[ Boiling Point ]:
552.8ºC at 760 mmHg
[ Molecular Formula ]:
C12H11N5O2
[ Molecular Weight ]:
257.24800
[ Flash Point ]:
288.1ºC
[ Exact Mass ]:
257.09100
[ PSA ]:
85.57000
[ LogP ]:
0.02230
[ Vapour Pressure ]:
2.9E-12mmHg at 25°C
[ Index of Refraction ]:
1.645
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6493800
- CHEMICAL NAME :
- Theophylline, 8-(3-pyridyl)-
- CAS REGISTRY NUMBER :
- 1029-62-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H11-N5-O2
- MOLECULAR WEIGHT :
- 257.28
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1 H1 C- CT6NJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Vascular - regional or general arteriolar or venous dilation
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,641,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 158 mg/kg
- TOXIC EFFECTS :
- Vascular - regional or general arteriolar or venous dilation
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,641,1964
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%