Flufylline

Modify Date: 2025-08-25 14:20:57

Flufylline Structure
Flufylline structure
Common Name Flufylline
CAS Number 82190-91-8 Molecular Weight 413.44500
Density 1.39g/cm3 Boiling Point 632.8ºC at 760 mmHg
Molecular Formula C21H24FN5O3 Melting Point N/A
MSDS N/A Flash Point 336.5ºC

 Names

Name 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 632.8ºC at 760 mmHg
Molecular Formula C21H24FN5O3
Molecular Weight 413.44500
Flash Point 336.5ºC
Exact Mass 413.18600
PSA 82.13000
LogP 1.10560
Index of Refraction 1.662
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5624000
CHEMICAL NAME :
Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-
CAS REGISTRY NUMBER :
82190-91-8
LAST UPDATED :
198806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H24-F-N5-O3
MOLECULAR WEIGHT :
413.50

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
149 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 34,1,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 34,1,1984

 Synonyms

Flufyllin
Flufilina [Spanish]
1H-Purine-2,6-dione,7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl
Sgd 195 78
Flufylline
Flufyllinum [Latin]
Theophylline,7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)
7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline
Flufylline [INN]
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