nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)

Modify Date: 2024-01-02 21:38:07

nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1) Structure
nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1) structure
Common Name nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
CAS Number 10058-07-8 Molecular Weight 437.45200
Density N/A Boiling Point 575.6ºC at 760mmHg
Molecular Formula C21H23N7O4 Melting Point N/A
MSDS N/A Flash Point 301.9ºC

 Names

Name 1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione,pyridine-3-carboxylic acid
Synonym More Synonyms

 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

 Synonyms

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