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Name	7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride	EINECS	241-204-1
CAS No.	17140-68-0	Density	N/A
PSA	65.06000	LogP	0.57750
Solubility	N/A	Melting Point	239-241°
Formula	C₁₃H₂₁N₅O₂•ClH	Boiling Point	460.2°C at 760 mmHg
Molecular Weight	315.85	Flash Point	232.1°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NO_x. See also THEOPHYLLINE.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Purine-2,6-dione,7-[2-(diethylamino)- ethyl]-3,7-dihydro-1,3-dimethyl-,monohydrochloride;Solufilina;Etamiphyllin hydrochloride;CHLORHYDRATE de DIETHYLAMINOETHYLTHEOPHYLLINE (FRENCH);7-(β-DIAETHYLAMINO-AETHYL)-THEOPHYLLIN-HYDRO-CHLORID (GERMAN);ETAMIPHYLLINE HYDROCHLORIDE;7-(2-(N,N-DIETHYLAMINO)ETHYL)-THEOPHYLLINE HYDROCHLORIDE;7-(2-(DIETHYLAMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE HYDROCHLORIDE;

7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride Chemical Properties

IUPAC Name: 7-(2-Diethylaminoethyl)-1,3-dimethylpurine-2,6-dione hydrochloride
Synonyms of 7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride (CAS NO.17140-68-0): 1H-Purine-2,6-dione, 7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-, hydrochloride ; 7-(beta-Diaethylamino-aethyl)-theophyllin-hydrochlorid ; Chlorhydrate de diethylaminoethyltheophylline ; Etamiphyllin HCl ; Etamiphylline hydrochloride ; Solufilina ; Theophylline, 7-(2-(diethylamino)ethyl)-, hydrochloride
CAS NO: 17140-68-0
Molecular Formula: C₁₃H₂₂ClN₅O₂
Molecular Weight: 315.7991
Molecular Structure:
EINECS: 241-204-1
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 61.68 Å²
Flash Point: 232.1 °C
Enthalpy of Vaporization: 72.08 kJ/mol
Boiling Point: 460.2 °C at 760 mmHg
Vapour Pressure: 1.19E-08 mmHg at 25°C
InChI: InChI=1/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;/h9H,5-8H2,1-4H3;1H
InChIKey: WZNIVRAEOQQUIB-UHFFFAOYAA
Std. InChI: InChI=1S/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;/h9H,5-8H2,1-4H3;1H
Std. InChIKey: WZNIVRAEOQQUIB-UHFFFAOYSA-N

7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	182mg/kg (182mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.
mouse	LD50	intravenous	127mg/kg (127mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 103, Pg. 146, 1955.

7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride Safety Profile

Poison by intravenous, intraperitoneal, and subcutaneous routes. When 7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride (CAS NO.17140-68-0) is heated to decomposition ,it emits very toxic fumes of HCl and NO_x. See also THEOPHYLLINE.

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