帕罗西汀盐酸盐半水合物（CAS 110429-35-1）：分子式 C19H20FNO3、分子量 329.4。
| CAS号 | 110429-35-1 |
|---|---|
| 分子式 | C19H20FNO3 |
| 分子量 | 329.4 |
| 熔点 | 120-138 |
| 沸点 | 451.7±45.0 |
| LogP | 2.53 |
| 应用领域 | Uses: THERAPEUTIC CATEGORY (VETERINARY): In treatment of canine and feline behavioral disorders、MEDICATION、Antidepressive Agents、Second-Generation、Serotonin Uptake Inhibitors、Use (kg、approx.) in Germany (2009): >1000、Use (kg) in USA (2002): 18200、Use (kg) in France (2004): 5515、Consumption (g per capita、approx.) in Germany (2009): 0.0122、Consumption (g per capita) in the USA (2002): 0.0645、Consumption (g per capita) in France (2004): 0.0913、Excretion rate: 0.03、Calculated removal (%): 97、Labeled indications include: major depressive disorder (MDD)、panic disorder with or without agoraphobia、obsessive-compulsive disorder (OCD)、social anxiety disorder (social phobia)、generalized anxiety disorder (GAD)、post-traumatic stress disorder (PTSD)、and premenstrual dysphoric disorder (PMDD). Unlabeled indications include: eating disorders、impulse control disorders、vasomotor symptoms of menopause、obsessive-compulsive disorder (OCD) in children、and mild dementia-associated agitation in nonpsychotic individuals. Brisdelle、which consists of paroxetine mesylate is indicated for the treatment of moderate to severe vasomotor symptoms (like hot flashes) associated with menopause.、Use Classification: Pharmaceuticals、Methods of Manufacturing: Grignard reaction of arecoline with 4-fluorophenylmagnesium bromide affords a cis-、trans mixture of methyl 4-(4-fluorophenyl)-N-methyl-nipecotate、which is hydrolyzed、converted into the acid chloride and esterified with (-)-menthol. The distilled methyl ester can be resolved via its hydrobromide salts to afford the (-)-trans form which upon reduction with LiAlH4 gives the desired (-)- trans alcohol. Conversion into the chloro compound with thionyl chloride and reaction with the sodium salt of 3、4-methylenedioxyphenol in refluxing methanol for 16 hr leads to the N-methyl derivative of ...、paroxetine、. N-demethylation is achieved by reaction with phenyl- or ethyl chloroformate and hydrolysis of the urethane with KOH.、Preparation: J. A. Christensen、R. F. Squires、German patent 2404113、eidem、United States of America patent 3912743、United States of America patent 4007196 (1974、1975、1977 all to Ferrosan).、Formulations、Preparations: Table: Paroxetine Hydrochloride Preparations [Table#6793]、Table: Paroxetine Mesylate Preparations [Table#6794]、Brisdelle is available as 7.5 mg pink capsules printed with black edible ink with "NOVEN" and "7.5 mg" on the capsule. Each capsule contains 9.69 mg paroxetine mesylate equivalent to 7.5 mg paroxetine base. |
登记用途：Uses: THERAPEUTIC CATEGORY (VETERINARY): In treatment of canine and feline behavioral disorders、MEDICATION、Antidepressive Agents、Second-Generation、Serotonin Uptake Inhibitors、Use (kg、approx.) in Germany (2009): >1000、Use (kg) in USA (2002): 18200、Use (kg) in France (2004): 5515、Consumption (g per capita、approx.) in Germany (2009): 0.0122、Consumption (g per capita) in the USA (2002): 0.0645、Consumption (g per capita) in France (2004): 0.0913、Excretion rate: 0.03、Calculated removal (%): 97、Labeled indications include: major depressive disorder (MDD)、panic disorder with or without agoraphobia、obsessive-compulsive disorder (OCD)、social anxiety disorder (social phobia)、generalized anxiety disorder (GAD)、post-traumatic stress disorder (PTSD)、and premenstrual dysphoric disorder (PMDD). Unlabeled indications include: eating disorders、impulse control disorders、vasomotor symptoms of menopause、obsessive-compulsive disorder (OCD) in children、and mild dementia-associated agitation in nonpsychotic individuals. Brisdelle、which consists of paroxetine mesylate is indicated for the treatment of moderate to severe vasomotor symptoms (like hot flashes) associated with menopause.、Use Classification: Pharmaceuticals、Methods of Manufacturing: Grignard reaction of arecoline with 4-fluorophenylmagnesium bromide affords a cis-、trans mixture of methyl 4-(4-fluorophenyl)-N-methyl-nipecotate、which is hydrolyzed、converted into the acid chloride and esterified with (-)-menthol. The distilled methyl ester can be resolved via its hydrobromide salts to afford the (-)-trans form which upon reduction with LiAlH4 gives the desired (-)- trans alcohol. Conversion into the chloro compound with thionyl chloride and reaction with the sodium salt of 3、4-methylenedioxyphenol in refluxing methanol for 16 hr leads to the N-methyl derivative of ...、paroxetine、. N-demethylation is achieved by reaction with phenyl- or ethyl chloroformate and hydrolysis of the urethane with KOH.、Preparation: J. A. Christensen、R. F. Squires、German patent 2404113、eidem、United States of America patent 3912743、United States of America patent 4007196 (1974、1975、1977 all to Ferrosan).、Formulations、Preparations: Table: Paroxetine Hydrochloride Preparations [Table#6793]、Table: Paroxetine Mesylate Preparations [Table#6794]、Brisdelle is available as 7.5 mg pink capsules printed with black edible ink with "NOVEN" and "7.5 mg" on the capsule. Each capsule contains 9.69 mg paroxetine mesylate equivalent to 7.5 mg paroxetine base.。
帕罗西汀盐酸盐半水合物 是一种化工化合物，登记 CAS 号为 110429-35-1，分子式 C19H20FNO3（分子量 329.4）。
登记 CAS 号：110429-35-1
其分子式 C19H20FNO3 由 19 个碳、20 个氢、1 个氟、1 个氮、3 个氧 组成。
别名/同义词：帕罗西汀盐酸盐半水合物 · Paroxetine HCl Hemihydrate
帕罗西汀盐酸盐半水合物 的 CAS 登记号为 110429-35-1。
分子式 C19H20FNO3，分子量 329.4。
别名/同义词：帕罗西汀盐酸盐半水合物、Paroxetine HCl Hemihydrate。
登记用途：Uses: THERAPEUTIC CATEGORY (VETERINARY): In treatment of canine and feline behavioral disorders、MEDICATION、Antidepressive Agents、Second-Generation、Serotonin Uptake Inhibitors、Use (kg、approx.) in Germany (2009): >1000、Use (kg) in USA (2002): 18200、Use (kg) in France (2004): 5515、Consumption (g per capita、approx.) in Germany (2009): 0.0122、Consumption (g per capita) in the USA (2002): 0.0645、Consumption (g per capita) in France (2004): 0.0913、Excretion rate: 0.03、Calculated removal (%): 97、Labeled indications include: major depressive disorder (MDD)、panic disorder with or without agoraphobia、obsessive-compulsive disorder (OCD)、social anxiety disorder (social phobia)、generalized anxiety disorder (GAD)、post-traumatic stress disorder (PTSD)、and premenstrual dysphoric disorder (PMDD). Unlabeled indications include: eating disorders、impulse control disorders、vasomotor symptoms of menopause、obsessive-compulsive disorder (OCD) in children、and mild dementia-associated agitation in nonpsychotic individuals. Brisdelle、which consists of paroxetine mesylate is indicated for the treatment of moderate to severe vasomotor symptoms (like hot flashes) associated with menopause.、Use Classification: Pharmaceuticals、Methods of Manufacturing: Grignard reaction of arecoline with 4-fluorophenylmagnesium bromide affords a cis-、trans mixture of methyl 4-(4-fluorophenyl)-N-methyl-nipecotate、which is hydrolyzed、converted into the acid chloride and esterified with (-)-menthol. The distilled methyl ester can be resolved via its hydrobromide salts to afford the (-)-trans form which upon reduction with LiAlH4 gives the desired (-)- trans alcohol. Conversion into the chloro compound with thionyl chloride and reaction with the sodium salt of 3、4-methylenedioxyphenol in refluxing methanol for 16 hr leads to the N-methyl derivative of ...、paroxetine、. N-demethylation is achieved by reaction with phenyl- or ethyl chloroformate and hydrolysis of the urethane with KOH.、Preparation: J. A. Christensen、R. F. Squires、German patent 2404113、eidem、United States of America patent 3912743、United States of America patent 4007196 (1974、1975、1977 all to Ferrosan).、Formulations、Preparations: Table: Paroxetine Hydrochloride Preparations [Table#6793]、Table: Paroxetine Mesylate Preparations [Table#6794]、Brisdelle is available as 7.5 mg pink capsules printed with black edible ink with "NOVEN" and "7.5 mg" on the capsule. Each capsule contains 9.69 mg paroxetine mesylate equivalent to 7.5 mg paroxetine base.。
帕罗西汀盐酸盐半水合物（CAS 110429-35-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 110429-35-1 |
|---|---|
| PubChem CID | 43815 |
| Molecular formula | C19H20FNO3 |
| IUPAC name | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| UNII (FDA) | 41VRH5220H |
| Molecular Weight | 329.4 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.14272166 |
| Monoisotopic Mass | 329.14272166 |
| Topological Polar Surface Area | 39.7 |
| Heavy Atom Count | 24 |
| Boiling Point | 451.7±45.0 |
|---|---|
| Melting Point | 120-138 |
| Melting Point | 129 - 131 °C |
| Solubility | 5.4 |
| Solubility | In water, 1,131 mg/L at 25 °C |
| Solubility | 8.53e-03 g/L |
| LogP | 2.53 |
| LogP | log Kow = 1.23 |
| LogP | 3.6 |
| LogP | 4.07 |
paroxetine; 61869-08-7; Frosinor; Motivan; Casbol; PaxPar; Paroxetina; Paroxetinum; (-)-Paroxetine; Aropax; Besitram; BRL 29060; BRL-29060; Arketis; Daparox; Parogen
| GHS notification summary | 16.7% (1 / 6) |
|---|
| GHS notification summary | 16.7% (1 / 6) |
|---|---|
| Reported hazard statements | H302 (66.7%), H360 (50%), H361 (16.7%), H400 (16.7%), H410 (50%), H315, H319, H335 |
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Paroxetine HCl Hemihydrate · CAS 110429-35-1 · C19H20FNO3. UNII 41VRH5220H. Boiling Point: 451.7±45.0; Melting Point: 120-138; Melting Point: 129 - 131 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Paroxetine HCl Hemihydrate