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| CAS No.: | 95094-00-1 |
|---|---|
| Name: | (S)-(-)-CARVEDILOL |
| Molecular Structure: | |
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| Formula: | C24H26N2O4 |
| Molecular Weight: | 406.481 |
| Synonyms: | 2-Propanol,1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-, (S)-;(-)-Carvedilol;(S)-(-)-Carvedilol;(S)-1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol;(S)-Carvedilol; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 114-115 °C |
| Boiling Point: | 655.2 °C at 760 mmHg |
| Flash Point: | 350.1 °C |
| Appearance: | Colourless crystalline solid |
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Specification
The 2-Propanol,1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-, (2S)- is an organic compound with the formula C24H26N2O4. The systematic name of this chemical is (2R)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol. With the CAS registry number 95094-00-1, it is also named as (S)-(-)-Carvedilol. The product's categories are Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. It is colourless crystalline solid which is an antihypertensive used in the treatment of congestive heart failure.
The other characteristics of 2-Propanol,1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-, (2S)- can be summarized as: (1)ACD/LogP: 4.12 ; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 45.09 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 119.59 cm3; (9)Molar Volume: 325.1 cm3; (10)Polarizability: 47.41×10-24 cm3; (11)Surface Tension: 53.9 dyne/cm; (12)Density: 1.25 g/cm3; (13)Flash Point: 350.1 °C; (14)Enthalpy of Vaporization: 101.39 kJ/mol; (15)Boiling Point: 655.2 °C at 760 mmHg; (16)Vapour Pressure: 4.63E-18 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O(c4ccccc4OCCNC[C@@H](O)COc3cccc2c3c1c(cccc1)n2)C
2. InChI:InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(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/h2-12,17,25-27H,13-16H2,1H3/t17-/m1/s1
3. InChIKey:OGHNVEJMJSYVRP-QGZVFWFLBL
4. Std. InChI:InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(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/h2-12,17,25-27H,13-16H2,1H3/t17-/m1/s1
5. Std. InChIKey:OGHNVEJMJSYVRP-QGZVFWFLSA-N