1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)
Names
[ CAS No. ]:
3485-82-3
[ Name ]:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)
[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-,sodium salt
sodium salt of theophylline
Einecs 222-472-9
1,3-DIMETHYLXANTHINE SODIUM SALT
sodium thiophyllinate
heophylline,sodium deriv.
6-dione,3,7-dihydro-1,3-dimethyl-1h-purine-sodium salt
Theophyllinesodiumsalt
sodium theophylline
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-,sodium salt (1:1)
Chemical & Physical Properties
[ Boiling Point ]:
271.1ºC at 760mmHg
[ Molecular Formula ]:
C7H7N4NaO2
[ Molecular Weight ]:
202.14600
[ Flash Point ]:
117.8ºC
[ Exact Mass ]:
202.04700
[ PSA ]:
69.78000
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6700000
- CHEMICAL NAME :
- Theophylline, sodium deriv.
- CAS REGISTRY NUMBER :
- 3485-82-3
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C7-H8-N4-O2.Na
- MOLECULAR WEIGHT :
- 203.18
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1 H1 &-NA-
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,266,1946
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 445 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4325956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 189 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 171 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,335,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 192 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954
Safety Information
[ HS Code ]:
2933990090
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%