2-hydroxypropane-1,2,3-tricarboxylic acid,1,3,7-trimethylpurine-2,6-dione
Controlled Substances
Names
[ CAS No. ]:
69-22-7
[ Name ]:
2-hydroxypropane-1,2,3-tricarboxylic acid,1,3,7-trimethylpurine-2,6-dione
[Synonym ]:
Caffeine citrate (1:1)
Coffeinum-citrate
Citric acid,compd. with caffeine (1:1)
UNII-U26EO4675Q
Citrated caffein
Caffeine,Citrated
caffeine citrate
1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
Kaffein,Citrat
1,3,7-Trimethyl-3,7-dihydro-purin-2,6-dion
Caffeina citrate
Chemical & Physical Properties
[ Molecular Formula ]:
C14H18N4O9
[ Molecular Weight ]:
386.31400
[ Exact Mass ]:
386.10700
[ PSA ]:
193.95000
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6495400
- CHEMICAL NAME :
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H- purine-2,6-dione
- CAS REGISTRY NUMBER :
- 69-22-7
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H10-N4-O2.C6-H8-O7
- MOLECULAR WEIGHT :
- 386.36
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
- REFERENCE :
- IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 27,1048,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 356 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 540 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: #3755326
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 49 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961
Safety Information
[ RIDADR ]:
UN 1544
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)