多塞平（CAS 1668-19-5）：分子式 C19H21NO、分子量 279.4。
| CAS号 | 1668-19-5 |
|---|---|
| 分子式 | C19H21NO |
| 分子量 | 279.4 |
| 熔点 | 185-191 ºC |
| 沸点 | 154-157 ºC at 0.03 mmHg |
| LogP | 4.29 |
| 应用领域 | Uses: THERAP CAT: Antidepressant、THERAP CAT (VET): Antipruritic.、MEDICATION、Use (kg、approx.) in Germany (2009): >5000、Use (kg) in USA (2002): 3270、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Consumption (g per capita) in the USA (2002): 0.0116、Excretion rate: 0.5、Calculated removal (%): 79.2、Doxepin is used for the treatment of depression、insomina、alcohol and drug withdrawal、gastrointestinal ulceration and other GI-problems. It can also be used for chronic urticaria and in the management of pain.、Methods of Manufacturing: Prepn of mixture of cis- trans-isomers: K. Stach、F. Bickelhaupt、Monatsh 93、896 (1962)、F. Bickelhaupt et al. Monatsh 95、485 (1964)、Neth pat Appl 6、407、758、K Stach、U.S. pat 3、438、981 (1965、1969 both to Boehringer Mann)、and separation and activity of isomers: B.M. Bloom、J.R. Tretter、Belg pat 641、498、eidem、420、851 (1964、1969 both to Pfizer).、6、11-DIHYDRODIBENZ[B、E]OXEPIN-11-ONE...PREPARED FROM PHTHALIDE & CONVERTED TO 11-[3-(DIMETHYLAMINO)PROPYL]-6H-DIBENZ[B、E]OXEPIN-11-OL THRU GRIGNARD REACTION WITH 3-(DIMETHYLAMINO)PROPYL CHLORIDE. DEHYDRATION OF THE ALCOHOL WITH MINERAL ACID YIELDS DOXEPIN WHICH IS REACTED WITH HCL.、HYDROCHLORIDE、Methyl salicylate + benzyl chloride + 3-dimethylaminopropyl chloride hydrochloride (ether formation、cyclization、Grignard reagent formation、Grignard reaction、dehydration). |
登记用途：Uses: THERAP CAT: Antidepressant、THERAP CAT (VET): Antipruritic.、MEDICATION、Use (kg、approx.) in Germany (2009): >5000、Use (kg) in USA (2002): 3270、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Consumption (g per capita) in the USA (2002): 0.0116、Excretion rate: 0.5、Calculated removal (%): 79.2、Doxepin is used for the treatment of depression、insomina、alcohol and drug withdrawal、gastrointestinal ulceration and other GI-problems. It can also be used for chronic urticaria and in the management of pain.、Methods of Manufacturing: Prepn of mixture of cis- trans-isomers: K. Stach、F. Bickelhaupt、Monatsh 93、896 (1962)、F. Bickelhaupt et al. Monatsh 95、485 (1964)、Neth pat Appl 6、407、758、K Stach、U.S. pat 3、438、981 (1965、1969 both to Boehringer Mann)、and separation and activity of isomers: B.M. Bloom、J.R. Tretter、Belg pat 641、498、eidem、420、851 (1964、1969 both to Pfizer).、6、11-DIHYDRODIBENZ[B、E]OXEPIN-11-ONE...PREPARED FROM PHTHALIDE & CONVERTED TO 11-[3-(DIMETHYLAMINO)PROPYL]-6H-DIBENZ[B、E]OXEPIN-11-OL THRU GRIGNARD REACTION WITH 3-(DIMETHYLAMINO)PROPYL CHLORIDE. DEHYDRATION OF THE ALCOHOL WITH MINERAL ACID YIELDS DOXEPIN WHICH IS REACTED WITH HCL.、HYDROCHLORIDE、Methyl salicylate + benzyl chloride + 3-dimethylaminopropyl chloride hydrochloride (ether formation、cyclization、Grignard reagent formation、Grignard reaction、dehydration).。
多塞平 是一种化工化合物，登记 CAS 号为 1668-19-5，分子式 C19H21NO（分子量 279.4）。
登记 CAS 号：1668-19-5
其分子式 C19H21NO 由 19 个碳、21 个氢、1 个氮、1 个氧 组成。
别名/同义词：多塞平 · DOXEPIN
多塞平 的 CAS 登记号为 1668-19-5。
分子式 C19H21NO，分子量 279.4。
别名/同义词：多塞平、DOXEPIN。
登记用途：Uses: THERAP CAT: Antidepressant、THERAP CAT (VET): Antipruritic.、MEDICATION、Use (kg、approx.) in Germany (2009): >5000、Use (kg) in USA (2002): 3270、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Consumption (g per capita) in the USA (2002): 0.0116、Excretion rate: 0.5、Calculated removal (%): 79.2、Doxepin is used for the treatment of depression、insomina、alcohol and drug withdrawal、gastrointestinal ulceration and other GI-problems. It can also be used for chronic urticaria and in the management of pain.、Methods of Manufacturing: Prepn of mixture of cis- trans-isomers: K. Stach、F. Bickelhaupt、Monatsh 93、896 (1962)、F. Bickelhaupt et al. Monatsh 95、485 (1964)、Neth pat Appl 6、407、758、K Stach、U.S. pat 3、438、981 (1965、1969 both to Boehringer Mann)、and separation and activity of isomers: B.M. Bloom、J.R. Tretter、Belg pat 641、498、eidem、420、851 (1964、1969 both to Pfizer).、6、11-DIHYDRODIBENZ[B、E]OXEPIN-11-ONE...PREPARED FROM PHTHALIDE & CONVERTED TO 11-[3-(DIMETHYLAMINO)PROPYL]-6H-DIBENZ[B、E]OXEPIN-11-OL THRU GRIGNARD REACTION WITH 3-(DIMETHYLAMINO)PROPYL CHLORIDE. DEHYDRATION OF THE ALCOHOL WITH MINERAL ACID YIELDS DOXEPIN WHICH IS REACTED WITH HCL.、HYDROCHLORIDE、Methyl salicylate + benzyl chloride + 3-dimethylaminopropyl chloride hydrochloride (ether formation、cyclization、Grignard reagent formation、Grignard reaction、dehydration).。
多塞平（CAS 1668-19-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1668-19-5 |
|---|---|
| PubChem CID | 3158 |
| Molecular formula | C19H21NO |
| IUPAC name | 3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine |
| UNII (FDA) | 5ASJ6HUZ7D |
| Molecular Weight | 279.4 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.162314293 |
| Monoisotopic Mass | 279.162314293 |
| Topological Polar Surface Area | 12.5 |
| Heavy Atom Count | 21 |
| Boiling Point | 154-157 ºC at 0.03 mmHg |
|---|---|
| Boiling Point | 154-157 °C @ 0.03 MM HG |
| Melting Point | 185-191 ºC |
| Melting Point | 184 - 186 °C |
| Solubility | 31.6 |
| Solubility | In water, 31.57 mg/l at 25 °C. |
| Solubility | 3.19e-02 g/L |
| LogP | 4.29 |
| LogP | log Kow = 0.67 |
| LogP | 3.75 |
doxepin; 1668-19-5; Doxepina; Doxepine; Sinepin; Doxepinum; CHEBI:4710; DTXSID7022966; 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-; 5ASJ6HUZ7D; Sinquan; ApoDoxepin; 11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin; N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine; Novo Doxepin
DOXEPIN · CAS 1668-19-5 · C19H21NO. UNII 5ASJ6HUZ7D. Boiling Point: 154-157 ºC at 0.03 mmHg; Boiling Point: 154-157 °C @ 0.03 MM HG; Melting Point: 185-191 ºC.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: DOXEPIN