nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
Names
[ CAS No. ]:
10058-07-8
[ Name ]:
nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
[Synonym ]:
7-(2-(Piridil)-metilammino-etil)-teofillino nicotinato [Italian]
Theophylline,7-(2-((3-pyridylmethyl)amino)ethyl)-,nicotinate
7-(ss-3'-Picolylaminoaethyl)-theophyllin-nicotinat
ES 902
nicotinic acid,compound with 3,7-dihydro-1,3-dimethyl-7-{2-[(3-pyridylmethyl)amino]ethyl}-1H-purine-2,6-dione (1:1)
7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline nicotinate
Pimefylline nicotinate
Teonicon
EINECS 233-185-3
Chemical & Physical Properties
[ Boiling Point ]:
575.6ºC at 760mmHg
[ Molecular Formula ]:
C21H23N7O4
[ Molecular Weight ]:
437.45200
[ Flash Point ]:
301.9ºC
[ Exact Mass ]:
437.18100
[ PSA ]:
136.93000
[ LogP ]:
0.78920
[ Vapour Pressure ]:
3E-13mmHg at 25°C
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6495000
- CHEMICAL NAME :
- Theophylline, 7-(2-((3-pyridylmethyl)amino)ethyl)-, nicotinate
- CAS REGISTRY NUMBER :
- 10058-07-8
- LAST UPDATED :
- 198609
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C21-H23-N7-O4
- MOLECULAR WEIGHT :
- 437.51
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ F1 H1 B2M1- CT6NJ &T6NJ CVQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GMITAB Gazzetta Medica Italiana. (Turin, Italy) V.95-142, 1936-83. Volume(issue)/page/year: 132,36,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GMITAB Gazzetta Medica Italiana. (Turin, Italy) V.95-142, 1936-83. Volume(issue)/page/year: 132,36,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2530 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 48,133,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 470 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 48,133,1973