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Acebutolol hydrochloride

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Name

Acebutolol hydrochloride

EINECS 251-980-3
CAS No. 34381-68-5 Density
Solubility Melting Point 141-143 °C
Formula C18H28N4O38.HCl Boiling Point 564.1 °C at 760 mmHg
Molecular Weight 372.94 Flash Point 295 °C
Transport Information Appearance Off-white powder
Safety 36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 34381-68-5 (Acebutolol hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Neptall;Sectral;Butanamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-,monohydrochloride (9CI);Acetanol;DL-1-(2-Acetyl-4-butyramido)-3-(isopropylamino)propan-2-ol hydrochloride;DL-1-(2-Acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropanehydrochloride;IL 17803A;

 

Acebutolol hydrochloride Specification

Acebutolol hydrochloride, its CAS NO. is 34381-68-5, the synonyms are (+-)-3'-Acetyl-4'-(2-hydroxy-3-
(isopropylamino)propoxy)butyranilide monohydrochloride; 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride; Acebutolol HCl; Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-; (1)-N-(3-Acetyl-4-(2-hydroxy-3-((isopropyl)amino)propoxy)phenyl)butyramide monohydrochloride. It is a white or slightly off-white powder freely soluble in water, and less soluble in alcohol. Acebutolol hydrochloride is a selective, hydrophilic beta-adrenoreceptor blocking agent with mild intrinsic sympathomimetic activity for use in treating patients with hypertension and ventricular arrhythmias.

Physical properties about Acebutolol hydrochloride are: (1)ACD/LogP: 1.951; (2)ACD/LogD (pH 5.5): -1.05; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 4.38; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 11; (11)Flash Point: 295 °C; (12)Enthalpy of Vaporization: 89.18 kJ/mol; (13)Boiling Point: 564.1 °C at 760 mmHg; (14)Vapour Pressure: 1.45E-13 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H;
(2)InChIKey=KTUFKADDDORSSI-UHFFFAOYSA-N;
(3)Smilesc1(c(cc(cc1)NC(=O)CCC)C(=O)C)OCC(C[NH2+]C(C)C)O.[Cl-]

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
mouse LD50 intravenous 53mg/kg (53mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
mouse LD50 oral 4050mg/kg (4050mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
mouse LD50 subcutaneous 291mg/kg (291mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rabbit LD50 intravenous 41mg/kg (41mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rabbit LD50 oral 296mg/kg (296mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rat LD50 intraperitoneal 222mg/kg (222mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rat LD50 intravenous 103mg/kg (103mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rat LD50 oral 6620mg/kg (6620mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
rat LD50 subcutaneous 1310mg/kg (1310mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 837, 1978.
women LDLo oral 360mg/kg (360mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE
American Journal of Emergency Medicine. Vol. 6, Pg. 512, 1988.

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