富马酸喹硫平（CAS 111974-72-2）：分子式 C21H25N3O2S、分子量 383.5。
| CAS号 | 111974-72-2 |
|---|---|
| 分子式 | C21H25N3O2S |
| 分子量 | 383.5 |
| 熔点 | 174-176 |
| 沸点 | 556.5±60.0 |
| LogP | 2.81 |
| 应用领域 | Uses: MEDICATION、Antipsychotic Agents、Use (kg) in Switzerland (2009): >2500、Use (kg、approx.) in Germany (2009): >10000、exact) in Germany (2009): 18887、Use (kg) in USA (2002): 26800、Consumption (g per capita) in Switzerland (2009): 0.32、Consumption (g per capita、approx.) in Germany (2009): 0.12、exact) in Germany (2009): 0.23、Consumption (g per capita) in the USA (2002): 0.095、Excretion rate: 0.05、Calculated removal (%): 9.3、Quetiapine is indicated for the treatment of schizophrenia、depressive episodes associated with bipolar disorder、acute manic episodes associated with bipolar I disorder、and maintenance treatment of bipolar I disorder (L1125).、Methods of Manufacturing: The cyclic amide、dibenzo[b、f][1、4]thiazepin-11-one is converted to the 11-chloro derivative with phosphorus oxychloride. Nucleophilic displacement of the halogen by 2-[2-(piperazinlyl)ethoxy]ethanol yields the product (base). The salt is prepared by mixing saturated solutions of the base and fumaric acid in ethanol.、Preparation: E. J. Warawa、B. M. Migler、European Patent Office patent 240228、eidem、United States of America patent 4879288 (1987、1989 both to ICI).、Formulations、Preparations: Table: Quetiapine Fumarate Preparations [Table#7262] |
登记用途：Uses: MEDICATION、Antipsychotic Agents、Use (kg) in Switzerland (2009): >2500、Use (kg、approx.) in Germany (2009): >10000、exact) in Germany (2009): 18887、Use (kg) in USA (2002): 26800、Consumption (g per capita) in Switzerland (2009): 0.32、Consumption (g per capita、approx.) in Germany (2009): 0.12、exact) in Germany (2009): 0.23、Consumption (g per capita) in the USA (2002): 0.095、Excretion rate: 0.05、Calculated removal (%): 9.3、Quetiapine is indicated for the treatment of schizophrenia、depressive episodes associated with bipolar disorder、acute manic episodes associated with bipolar I disorder、and maintenance treatment of bipolar I disorder (L1125).、Methods of Manufacturing: The cyclic amide、dibenzo[b、f][1、4]thiazepin-11-one is converted to the 11-chloro derivative with phosphorus oxychloride. Nucleophilic displacement of the halogen by 2-[2-(piperazinlyl)ethoxy]ethanol yields the product (base). The salt is prepared by mixing saturated solutions of the base and fumaric acid in ethanol.、Preparation: E. J. Warawa、B. M. Migler、European Patent Office patent 240228、eidem、United States of America patent 4879288 (1987、1989 both to ICI).、Formulations、Preparations: Table: Quetiapine Fumarate Preparations [Table#7262]。
富马酸喹硫平 是一种化工化合物，登记 CAS 号为 111974-72-2，分子式 C21H25N3O2S（分子量 383.5）。
登记 CAS 号：111974-72-2
其分子式 C21H25N3O2S 由 21 个碳、25 个氢、3 个氮、2 个氧、1 个硫 组成。
别名/同义词：富马酸喹硫平 · quetiapine fumarate
富马酸喹硫平 的 CAS 登记号为 111974-72-2。
分子式 C21H25N3O2S，分子量 383.5。
别名/同义词：富马酸喹硫平、quetiapine fumarate。
登记用途：Uses: MEDICATION、Antipsychotic Agents、Use (kg) in Switzerland (2009): >2500、Use (kg、approx.) in Germany (2009): >10000、exact) in Germany (2009): 18887、Use (kg) in USA (2002): 26800、Consumption (g per capita) in Switzerland (2009): 0.32、Consumption (g per capita、approx.) in Germany (2009): 0.12、exact) in Germany (2009): 0.23、Consumption (g per capita) in the USA (2002): 0.095、Excretion rate: 0.05、Calculated removal (%): 9.3、Quetiapine is indicated for the treatment of schizophrenia、depressive episodes associated with bipolar disorder、acute manic episodes associated with bipolar I disorder、and maintenance treatment of bipolar I disorder (L1125).、Methods of Manufacturing: The cyclic amide、dibenzo[b、f][1、4]thiazepin-11-one is converted to the 11-chloro derivative with phosphorus oxychloride. Nucleophilic displacement of the halogen by 2-[2-(piperazinlyl)ethoxy]ethanol yields the product (base). The salt is prepared by mixing saturated solutions of the base and fumaric acid in ethanol.、Preparation: E. J. Warawa、B. M. Migler、European Patent Office patent 240228、eidem、United States of America patent 4879288 (1987、1989 both to ICI).、Formulations、Preparations: Table: Quetiapine Fumarate Preparations [Table#7262]。
富马酸喹硫平（CAS 111974-72-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111974-72-2 |
|---|---|
| PubChem CID | 5002 |
| Molecular formula | C21H25N3O2S |
| IUPAC name | 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol |
| UNII (FDA) | BGL0JSY5SI |
| Molecular Weight | 383.5 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 383.16674822 |
| Monoisotopic Mass | 383.16674822 |
| Topological Polar Surface Area | 73.6 |
| Heavy Atom Count | 27 |
| Boiling Point | 556.5±60.0 |
|---|---|
| Melting Point | 174-176 |
| Flash Point | 9.7 °C (49.5 °F) - closed cup |
| LogP | 2.81 |
| LogP | 3.54 |
| Dissociation Constants | 7.06 |
quetiapine; 111974-69-7; quetiapina; Norsic; quetiapinum; 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol; BGL0JSY5SI; DTXSID9023546; Quetiapine extended release; NSC-758918; 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol; Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-; CHEBI:8707; DTXCID903546; Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
| Reported hazard statements | H302 (100%), H318 (75%), H335 (25%), H400 (25%), H410 (50%), H412 (25%), H225, H301 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (75%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
quetiapine fumarate · CAS 111974-72-2 · C21H25N3O2S. UNII BGL0JSY5SI. Boiling Point: 556.5±60.0; Melting Point: 174-176; Flash Point: 9.7 °C (49.5 °F) - closed cup.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: quetiapine fumarate