Name: Oxprenolol hydrochloride
SKU: 6452-73-9

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Basic Information

Molecular Structure:
CAS No.:	6452-73-9
Name:	Oxprenolol hydrochloride

Formula:	C₁₅H₂₄ClNO₃
Molecular Weight:	301.813
Synonyms:	2-Propanol,1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, hydrochloride (9CI);2-Propanol, 1-[o-(allyloxy)phenoxy]-3-(isopropylamino)-, hydrochloride(7CI,8CI);1-(2-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride;1-(2'-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride;1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propanol hydrochloride;1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propranol-hydrochloride;1-Isopropyl-amino-2-hydroxy-3-(O-allyloxyphenoxy)propanehydrochloride;1-Isopropylamino-3-(o-allyloxyphenoxy)-2-propanol hydrochloride;Ba 39089;CIBA 39089Ba;Laracor;Oxiprenolol hydrochloride;Oxprenololhydrochloride;Paritane;Slow-Pren;Slow-Trasicor;Trasacor;Trasicor;Trasicor80;dl-Alprenolol hydrochloride;dl-Oxprenolol hydrochloride;
EINECS:	229-260-5
Melting Point:	91-93 °C
Boiling Point:	403.3 °C at 760 mmHg
Flash Point:	197.7 °C
Appearance:	White Solid
Hazard Symbols:	Xi
PSA:	50.72000
LogP:	3.18200

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Specification

The Oxprenolol hydrochloride, with the CAS registry number 6452-73-9, is also known as 2-Propanol,1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yloxy)phenoxy]-, hydrochloride (1:1). It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 229-260-5. This chemical's molecular formula is C₁₅H₂₄ClNO₃ and molecular weight is 301.81. What's more, its systematic name is 1-[2-(Allyloxy)phenoxy]-3-(isopropylamino)-2-propanol hydrochloride (1:1). Its classification codes are: (1)Drug / Therapeutic Agent (2)Human Data (3)Reproductive Effect (4)Vasodilator [coronary]. This chemical is a beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias and anxiety.

Physical properties of Oxprenolol hydrochloride are: (1)ACD/LogP: 2.291; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 5.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 30.93 Å²; (13)Flash Point: 197.7 °C; (14)Enthalpy of Vaporization: 69.02 kJ/mol; (15)Boiling Point: 403.3 °C at 760 mmHg; (16)Vapour Pressure: 3.15E-07 mmHg at 25°C.

Uses of Oxprenolol hydrochloride: it can be used to produce N-nitrosooxprenolol at the temperature of 50 °C. It will need reagents sodium nitrite, aq. HCl with the reaction time of 5 hours. The yield is about 85%.

Oxprenolol hydrochloride can be used to produce N-nitrosooxprenolol at the temperature of 50 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl
(2)InChI: InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H
(3)InChIKey: COAJXCLTPGGDAJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD90	oral	200mg/kg (200mg/kg)	CARDIAC: PULSE RATE BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
dog	LD50	intravenous	15mg/kg (15mg/kg)	BEHAVIORAL: TREMOR CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP BEHAVIORAL: ATAXIA	Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1890, 1970.
dog	LDLo	oral	> 30mg/kg (30mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
dog	LDLo	subcutaneous	> 30mg/kg (30mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
mouse	LD50	intraperitoneal	170mg/kg (170mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SLEEP	Polish Journal of Pharmacology and Pharmacy. Vol. 25, Pg. 151, 1973.
mouse	LD50	intravenous	20mg/kg (20mg/kg)	AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC	Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1022, 1977.
mouse	LD50	oral	520mg/kg (520mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3131, 1973.
mouse	LD50	subcutaneous	245mg/kg (245mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
rabbit	LDLo	intravenous	20mg/kg (20mg/kg)	BEHAVIORAL: ATAXIA CARDIAC: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1890, 1970.
rat	LD50	intraperitoneal	147mg/kg (147mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3131, 1973.
rat	LD50	intravenous	33mg/kg (33mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
rat	LD50	oral	214mg/kg (214mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 35, Pg. 1236, 1985.
rat	LD50	subcutaneous	940mg/kg (940mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 164, 1968.
women	LDLo	oral	90mg/kg (90mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: GENERAL ANESTHETIC CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)	British Medical Journal. Vol. 1, Pg. 552, 1977.
women	TDLo	oral	160mg/kg (160mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA VASCULAR: SHOCK	Human & Experimental Toxicology. Vol. 9, Pg. 101, 1990.