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CAS No.: | 3930-20-9 |
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Name: | Sotalol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H20N2O3S |
Molecular Weight: | 272.368 |
Synonyms: | Methanesulfonanilide,4'-[1-hydroxy-2-(isopropylamino)ethyl]- (8CI);4'-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide;Beta-Cardone;DL-4-(2-Isopropylamino-1-hydroxyethyl)methanesulfonanilide; |
Density: | 1.24 g/cm3 |
Melting Point: | 206.5-207 °C |
Boiling Point: | 443.3 °C at 760 mmHg |
Flash Point: | 221.9 °C |
Appearance: | white crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 86.81000 |
LogP: | 2.63420 |
The Sotalol with the cas number 3930-20-9, is also called Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-. The systematic name is N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide. Its molecular formula is C12H20N2O3S. This chemical is white crystalline.
The properties of the chemical are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 72.13 cm3; (15)Molar Volume: 219.7 cm3; (16)Polarizability: 28.59×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 73.87 kJ/mol; (19)Vapour Pressure: 1.22×10-8 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(O)CNC(C)C)C
(2)InChI: InChI=1/C12H20N2O3S/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
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | oral | 3429ug/kg/2D- (3.429mg/kg) | CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP CARDIAC: PULSE RATE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Australian and New Zealand Journal of Medicine. Vol. 24, Pg. 319, 1994. |
mouse | LD50 | intraperitoneal | 790mg/kg (790mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Polish Journal of Pharmacology and Pharmacy. Vol. 25, Pg. 145, 1973. |
mouse | LD50 | intravenous | 113mg/kg (113mg/kg) | United States Patent Document. Vol. #5118689, | |
women | LDLo | oral | 288mg/kg (288mg/kg) | BEHAVIORAL: COMA CARDIAC: CHANGE IN RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 389, 1988. |
women | TDLo | multiple routes | 100mg/kg/2W-I (100mg/kg) | CARDIAC: OTHER CHANGES | American Heart Journal. Vol. 107, Pg. 179, 1984. |
women | TDLo | oral | 14mg/kg/3D-I (14mg/kg) | CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP CARDIAC: PULSE RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Australian and New Zealand Journal of Medicine. Vol. 24, Pg. 319, 1994. |
women | TDLo | oral | 118mg/kg/4W-I (118mg/kg) | CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE CARDIAC: PULSE RATE CARDIAC: CHANGE IN RATE | Postgraduate Medical Journal. Vol. 68, Pg. 289, 1992. |