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CAS No.: | 98418-47-4 |
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Name: | Metroprolol succinate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | 2(C15H25NO3).C4H6O4 |
Molecular Weight: | 652.826 |
Synonyms: | (+-)-1-(Isopropylamino)-3-(p-(2-methoxyethyl)phenoxy)-2-propanol succinate (2:1) (salt);Toprol XL;Spesicor Dos;Selozok; |
EINECS: | 620-476-9 |
Boiling Point: | 398.6 °C at 760 mmHg |
Flash Point: | 194.9 °C |
PSA: | 176.04000 |
LogP: | 3.94400 |
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The Metroprolol succinate, with the CAS registry number 98418-47-4, is also known as (+-)-1-(Isopropylamino)-3-(p-(2-methoxyethyl)phenoxy)-2-propanol succinate (2:1) (salt). This chemical's molecular formula is 2(C15H25NO3).C4H6O4 and molecular weight is 652.83. What's more, its systematic name is Succinic acid-1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol (1:2). Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Antagonists; (3)Adrenergic beta-Antagonists; (4)Anti-anginal; (5)Antihypertensive; (6)Neurotransmitter Agents. This chemcial is a selective adrenergic beta-1-blocking agent with no stimulatory action. It's binding to plasma albumin is weaker than alprenolol and it may be useful in angina pectoris, hypertension, or cardiac arrhythmias.
Physical properties of Metroprolol succinate are: (1)ACD/LogP: 1.789; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.06; (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): 3.16; (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: 194.9 °C; (14)Enthalpy of Vaporization: 68.47 kJ/mol; (15)Boiling Point: 398.6 °C at 760 mmHg; (16)Vapour Pressure: 4.52E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)O.O(c1ccc(cc1)CCOC)CC(O)CNC(C)C.O(C)CCc1ccc(OCC(O)CNC(C)C)cc1
(2)Std. InChI: InChI=1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
(3)Std. InChIKey: RGHAZVBIOOEVQX-UHFFFAOYSA-N