Ibutilide fumarate (CAS 122647-32-9) — formula C20H36N2O3S, molecular weight 384.6; category organic chemicals.
| CAS Number | 122647-32-9 |
|---|---|
| Molecular Formula | C20H36N2O3S |
| Molecular Weight | 384.6 |
| LogP | 4.6 |
| Applications | Uses: MEDICATION, Methods of Manufacturing: The synthesis starts with a Friedel-Crafts acylation of methanesulfonanilide with succinic anhydride in presence of AlCl3 yielding 4-[(methylsulfonyl)amino]-gamma-oxobenzenebutanoic acid, which is treated with N-ethylheptylamine and dicyclohexylcarbodiimide (DCC) in DMF to give the corresponding amide. Reduction with LiAlH4 in THF in the last step provides the desired drug substance., Formulations, Preparations: Parenteral: Injection, for IV infusion: 1 mg (0.1 mg, mL), Covert (Pfizer)., Ibutilide fumarate |
| Category | Organic Chemicals |
Documented applications: Uses: MEDICATION, Methods of Manufacturing: The synthesis starts with a Friedel-Crafts acylation of methanesulfonanilide with succinic anhydride in presence of AlCl3 yielding 4-[(methylsulfonyl)amino]-gamma-oxobenzenebutanoic acid, which is treated with N-ethylheptylamine and dicyclohexylcarbodiimide (DCC) in DMF to give the corresponding amide. Reduction with LiAlH4 in THF in the last step provides the desired drug substance., Formulations, Preparations: Parenteral: Injection, for IV infusion: 1 mg (0.1 mg, mL), Covert (Pfizer)., Ibutilide fumarate.
Ibutilide fumarate is a carbon-based organic compound with CAS registry number 122647-32-9 and molecular formula C20H36N2O3S (molecular weight 384.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 122647-32-9
Its molecular formula C20H36N2O3S comprises 20 C, 36 H, 2 N, 3 O, 1 S atoms.
Also known as: Ibutilide fumarate · 富马酸伊布利特
Category: organic chemicals
The CAS registry number of Ibutilide fumarate is 122647-32-9.
Molecular formula C20H36N2O3S, molecular weight 384.6.
It is also registered under: Ibutilide fumarate, 富马酸伊布利特.
Recorded applications: Uses: MEDICATION, Methods of Manufacturing: The synthesis starts with a Friedel-Crafts acylation of methanesulfonanilide with succinic anhydride in presence of AlCl3 yielding 4-[(methylsulfonyl)amino]-gamma-oxobenzenebutanoic acid, which is treated with N-ethylheptylamine and dicyclohexylcarbodiimide (DCC) in DMF to give the corresponding amide. Reduction with LiAlH4 in THF in the last step provides the desired drug substance., Formulations, Preparations: Parenteral: Injection, for IV infusion: 1 mg (0.1 mg, mL), Covert (Pfizer)., Ibutilide fumarate.
Category: Organic Chemicals.
Independent reference data for Ibutilide fumarate (CAS 122647-32-9), compiled from public chemistry databases.
| CAS Registry Number | 122647-32-9 |
|---|---|
| PubChem CID | 60753 |
| Molecular formula | C20H36N2O3S |
| IUPAC name | N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide |
| UNII (FDA) | 2436VX1U9B |
| Molecular Weight | 384.6 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 14 |
| Exact Mass | 384.24466419 |
| Monoisotopic Mass | 384.24466419 |
| Topological Polar Surface Area | 78 |
| Heavy Atom Count | 26 |
| Solubility | 100 |
|---|---|
| Solubility | 4.73e-03 g/L |
| LogP | 4.6 |
Ibutilide; 122647-31-8; Ibutilida; Ibutilidum; n-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide; N-(4-(4-(ethyl(heptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide; N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide; 2436VX1U9B; DTXSID20861271; N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]methanesulfonamide; N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide; RefChem:56518; C01BD05; DTXCID30197270; Ibutilidum [INN-Latin]; Ibutilida [INN-Spanish]
Ibutilide fumarate · CAS 122647-32-9 · C20H36N2O3S. UNII 2436VX1U9B. Solubility: 100; Solubility: 4.73e-03 g/L; LogP: 4.6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 富马酸伊布利特