苯佐那酯（CAS 104-31-4）：分子式 C30H53NO11、分子量 603.7。
| CAS号 | 104-31-4 |
|---|---|
| 分子式 | C30H53NO11 |
| 分子量 | 603.7 |
| LogP | 2.45 |
| 应用领域 | Uses: MEDICATION、Use (kg) in USA (2002): 10600、Consumption (g per capita) in the USA (2002): 0.0376、Calculated removal (%): 10.5、Methods of Manufacturing: Ethyl p-(butylamino)benzoate is transesterified with a polyethylene glycol monomethyl ether fraction in a methanol solution of sodium methoxide. The crude ester is purified by extracting its benzene solution with sodium carbonate solution、the ester being retained in the benzene.、Formulations、Preparations: Table: Benzonatate Preparations [Table#7770] |
登记用途：Uses: MEDICATION、Use (kg) in USA (2002): 10600、Consumption (g per capita) in the USA (2002): 0.0376、Calculated removal (%): 10.5、Methods of Manufacturing: Ethyl p-(butylamino)benzoate is transesterified with a polyethylene glycol monomethyl ether fraction in a methanol solution of sodium methoxide. The crude ester is purified by extracting its benzene solution with sodium carbonate solution、the ester being retained in the benzene.、Formulations、Preparations: Table: Benzonatate Preparations [Table#7770]。
苯佐那酯 是一种化工化合物，登记 CAS 号为 104-31-4，分子式 C30H53NO11（分子量 603.7）。
登记 CAS 号：104-31-4
其分子式 C30H53NO11 由 30 个碳、53 个氢、1 个氮、11 个氧 组成。
别名/同义词：苯佐那酯 · benzonatate
苯佐那酯 的 CAS 登记号为 104-31-4。
分子式 C30H53NO11，分子量 603.7。
别名/同义词：苯佐那酯、benzonatate。
登记用途：Uses: MEDICATION、Use (kg) in USA (2002): 10600、Consumption (g per capita) in the USA (2002): 0.0376、Calculated removal (%): 10.5、Methods of Manufacturing: Ethyl p-(butylamino)benzoate is transesterified with a polyethylene glycol monomethyl ether fraction in a methanol solution of sodium methoxide. The crude ester is purified by extracting its benzene solution with sodium carbonate solution、the ester being retained in the benzene.、Formulations、Preparations: Table: Benzonatate Preparations [Table#7770]。
苯佐那酯（CAS 104-31-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 104-31-4 |
|---|---|
| PubChem CID | 7699 |
| Molecular formula | C30H53NO11 |
| IUPAC name | 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate |
| UNII (FDA) | 5P4DHS6ENR |
| Molecular Weight | 603.7 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 33 |
| Exact Mass | 603.36186151 |
| Monoisotopic Mass | 603.36186151 |
| Topological Polar Surface Area | 121 |
| Heavy Atom Count | 42 |
| Solubility | 1.59e-03 g/L |
|---|---|
| LogP | 2.45 |
| LogP | log Kow = 2.45 |
| LogP | 1.2 |
Benzonatate; 104-31-4; Benzononatine; Tessalon; Benzonatatum; Benzonatato; Tessalon Perles; Zonatuss; 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate; DTXSID9022655; 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate; nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate; NSC-760128; 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester; Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester; CHEBI:3032
| Reported hazard statements | H302 (50%), H315 (50%), H319 (50%), H335 (50%), H412 (50%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
benzonatate · CAS 104-31-4 · C30H53NO11. UNII 5P4DHS6ENR. Solubility: 1.59e-03 g/L; LogP: 2.45; LogP: log Kow = 2.45.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: benzonatate