- Dronedarone
- Dronedarone hydrochloride
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| Name |
Dronedarone hydrochloride |
EINECS | 630-355-2 |
| CAS No. | 141625-93-6 | Density | N/A |
| PSA | 97.23000 | LogP | 9.00480 |
| Solubility | N/A | Melting Point |
NA (low-melting) |
| Formula | C31H44N2O5S.HCl | Boiling Point | 683.9 °C at 760 mmHg |
| Molecular Weight | 593.228 | Flash Point | 367.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methanesulfonamide,N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]-,monohydrochloride (9CI);Dronedarone HCl;SR 33589B;SR33598B;UNII-FA36DV299Q; |
Dronedarone hydrochloride Specification
The Dronedarone hydrochloride is an organic compound with the formula C31H44N2O5S.HCl. The IUPAC name of this chemical is N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide hydrochlorid. With the CAS registry number 141625-93-6, it is also named as Methanesulfonamide, N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]-, hydrochloride (1:1). The product's classification code is Antiarrhythmic.
Physical properties about Dronedarone hydrochloride are: (1)ACD/LogP: 7.58; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 88.44 Å2; (7)Flash Point: 367.4 °C; (8)Enthalpy of Vaporization: 100.31 kJ/mol; (9)Boiling Point: 683.9 °C at 760 mmHg; (10)Vapour Pressure: 1.47E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=S(=O)(Nc3cc1c(oc(c1C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)CCCC)cc3)C
(2)InChI: InChI=1/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
(3)InChIKey: DWKVCQXJYURSIQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
(5)Std. InChIKey: DWKVCQXJYURSIQ-UHFFFAOYSA-N
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