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CAS No.: | 959-24-0 |
---|---|
Name: | Sotalol hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H20N2O3S.HCl |
Molecular Weight: | 308.829 |
Synonyms: | Methanesulfonamide,N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, monohydrochloride(9CI);Methanesulfonanilide, 4'-[1-hydroxy-2-(isopropylamino)ethyl]-,monohydrochloride (8CI);β-Cardone;4'-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide hydrochloride;4'-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide hydrochloride;4'-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide monohydrochloride;Betapace;DL-MJ 1999;Darob;MJ 1999;N-Isopropyl-b-(4-methanesulfonamidophenyl)ethanolaminehydrochloride;Sotacor;Sotalex;Sotalol HCl;Sotalol hydrochloride;dl-Sotalolhydrochloride; |
EINECS: | 213-496-0 |
Melting Point: | 218-220 °C |
Boiling Point: | 443.3 °C at 760 mmHg |
Flash Point: | 221.9 °C |
Solubility: | 20 mg/mL in water |
Appearance: | white crystalline solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 86.81000 |
LogP: | 3.43620 |
sotalol hydrochloride
N-nitrososotalol
Conditions | Yield |
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With hydrogenchloride; sodium nitrite at 50℃; for 6h; | 87% |
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The IUPAC name of β-Cardone is N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride. With the CAS registry number 959-24-0, it is also named as Sotalol hydrochloride. The product's categories are Miscellaneous Natural Products; Intermediates & Fine Chemicals; Pharmaceuticals; API's; Adrenoceptor. Besides, it is white crystalline solid, which should be stored in closed container in a cool, dry place. In addition, its molecular formula is C12H20N2O3S.HCl and molecular weight is 308.82.
The other characteristics of this product can be summarized as: (1)EINECS: 213-496-0; (2)ACD/LogP: 0.32; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.7; (5)ACD/LogD (pH 7.4): -1.56; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 58.23 Å2; (14)Flash Point: 221.9 °C; (15)Melting Point: 218-220 °C; (16)Water Solubility: 20 mg/mL; (17)Enthalpy of Vaporization: 73.87 kJ/mol; (18)Boiling Point: 443.3 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-08 mmHg at 25 °C.
Uses of β-Cardone: this chemical is a potent -adrenergic receptor antagonist. It is also an adrenergic β-antagonist that is used in the treatment of life-threatening arrhythmias. Additionally, it can be used to produce N-Nitrososotalol.
This reaction needs Sodium nitrite and aq. HCl at temperature of 50 °C for 6 hours. The yield is 87 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(O)CNC(C)C)C.Cl
(2)InChI: InChI=1/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
(3)InChIKey: VIDRYROWYFWGSY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
(5)Std. InChIKey: VIDRYROWYFWGSY-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intraperitoneal | 330mg/kg (330mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |
human | TDLo | oral | 64mg/kg/2W-I (64mg/kg) | CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) | British Medical Journal. Vol. 291, Pg. 544, 1985. |
man | LDLo | oral | 45714ug/kg (45.714mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Toxicology. Vol. 43, Pg. 221, 1980. |
mouse | LD50 | intraperitoneal | 670mg/kg (670mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |
mouse | LD50 | oral | 2600mg/kg (2600mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |
rabbit | LD50 | oral | 1gm/kg (1000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |
rat | LD50 | intraperitoneal | 680mg/kg (680mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |
rat | LD50 | oral | 3450mg/kg (3450mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 149, Pg. 161, 1965. |