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| CAS No.: | 610309-89-2 |
|---|---|
| Name: | CARVEDILOL PHOSPHATE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | 2(C24H26N2O4).2(H3PO4).H2O |
| Molecular Weight: | 513.484 |
| Synonyms: | Carvedilol Phosphate |
| EINECS: | 642-914-8 |
| Boiling Point: | 655.2 °C at 760 mmHg |
| Flash Point: | 350.1 °C |
| PSA: | 172.54000 |
| LogP: | 3.13600 |
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Chemistry
Molecular Structure of Carvedilol phosphate hemihydrate (CAS NO.610309-89-2):
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IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol; phosphoric acid; hydrate
Empirical Formula: C48H60N4O17P2
Molecular Weight: 1026.9541
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 11
Polar Surface Area: 45.09 Å2
Flash Point: 350.1 °C
Enthalpy of Vaporization: 101.39 kJ/mol
Boiling Point: 655.2 °C at 760 mmHg
Vapour Pressure: 4.63E-18 mmHg at 25°C
SMILES: O=P(O)(O)O.O=P(O)(O)O.O.O(c4ccccc4OCCNCC(O)COc3cccc2c3c1ccccc1n2)C.O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C
InChI: InChI=1/2C24H26N2O4.2H3O4P.H2O/c2*1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;2*1-5(2,3)4;/h2*2-12,17,25-27H,13-16H2,1H3;2*(H3,1,2,3,4);1H2
Specification
Carvedilol phosphate hemihydrate , with CAS number of 610309-89-2, can be called (2RS)-1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)propan-2-ol phosphate salt (1:1) hemihydrate ; Carvedilol phosphate ; 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-, phosphate (salt), hydrate (2:2:1) .