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

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Names

[ 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

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