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罗匹尼罗

CAS 91374-21-9C16H24N2OMW 260.37

罗匹尼罗(CAS 91374-21-9):分子式 C16H24N2O、分子量 260.37。

产品概览

CAS号91374-21-9
分子式C16H24N2O
分子量260.37
熔点243-250 °C
沸点410.5±45.0 °C at 760 mmHg
LogP3.06
应用领域Uses: MEDICATION、Antiparkinson Agents、Dopamine Agonists、Use (kg、approx.) in Germany (2009): >75、Consumption (g per capita、approx.) in Germany (2009): 0.000916、Calculated removal (%): 11.8、For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome.、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Methods of Manufacturing: The acid chloride of 2-(2-methyl-3-nitrophenyl)acetic acid is prepared with thionyl chloride、then treated with dipropylamine to form the amide. The carbonyl group is reduced with borane in THF and then reacted with diethyl oxalate and sodium in alcohol in a Claisen-type reaction to produce the ethyl ester of 3-[[2-(dipropylamino)ethyl]-6-nitrophenyl]pyruvic acid. Hydrolysis and decarboxylation of the acid with peroxide and base removes the ethoxycarbonyl group and forms 2-[2-(dipropylamino)ethyl]-6-nitrophenylacetic acid. Cyclization to the product is effected by catalytic reduction of the nitro group、using palladium、hydrogen to give the amine、which through loss of water forms the lactam (indolone). Heating with HCl forms ...、ropinirole hydrochloride、.、Ropinirole hydrochloride、Preparation: G. Gallagher、Jr.、United States of America patent 4452808 (1984 to SmithKline Beckman)、Formulations、Preparations: Table: Ropinirole Hydrochloride Preparations [Table#8233]

应用领域

登记用途:Uses: MEDICATION、Antiparkinson Agents、Dopamine Agonists、Use (kg、approx.) in Germany (2009): >75、Consumption (g per capita、approx.) in Germany (2009): 0.000916、Calculated removal (%): 11.8、For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome.、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Methods of Manufacturing: The acid chloride of 2-(2-methyl-3-nitrophenyl)acetic acid is prepared with thionyl chloride、then treated with dipropylamine to form the amide. The carbonyl group is reduced with borane in THF and then reacted with diethyl oxalate and sodium in alcohol in a Claisen-type reaction to produce the ethyl ester of 3-[[2-(dipropylamino)ethyl]-6-nitrophenyl]pyruvic acid. Hydrolysis and decarboxylation of the acid with peroxide and base removes the ethoxycarbonyl group and forms 2-[2-(dipropylamino)ethyl]-6-nitrophenylacetic acid. Cyclization to the product is effected by catalytic reduction of the nitro group、using palladium、hydrogen to give the amine、which through loss of water forms the lactam (indolone). Heating with HCl forms ...、ropinirole hydrochloride、.、Ropinirole hydrochloride、Preparation: G. Gallagher、Jr.、United States of America patent 4452808 (1984 to SmithKline Beckman)、Formulations、Preparations: Table: Ropinirole Hydrochloride Preparations [Table#8233]。

技术档案

这个产品是什么

罗匹尼罗 是一种化工化合物,登记 CAS 号为 91374-21-9,分子式 C16H24N2O(分子量 260.37)。

识别信息

登记 CAS 号:91374-21-9

其分子式 C16H24N2O 由 16 个碳、24 个氢、2 个氮、1 个氧 组成。

别名/同义词:罗匹尼罗 · Ropinirole

常见问题

罗匹尼罗 的 CAS 号是多少?

罗匹尼罗 的 CAS 登记号为 91374-21-9。

罗匹尼罗 的分子式与分子量是多少?

分子式 C16H24N2O,分子量 260.37。

罗匹尼罗 还有哪些别名?

别名/同义词:罗匹尼罗、Ropinirole。

罗匹尼罗 的登记用途是什么?

登记用途:Uses: MEDICATION、Antiparkinson Agents、Dopamine Agonists、Use (kg、approx.) in Germany (2009): >75、Consumption (g per capita、approx.) in Germany (2009): 0.000916、Calculated removal (%): 11.8、For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome.、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Methods of Manufacturing: The acid chloride of 2-(2-methyl-3-nitrophenyl)acetic acid is prepared with thionyl chloride、then treated with dipropylamine to form the amide. The carbonyl group is reduced with borane in THF and then reacted with diethyl oxalate and sodium in alcohol in a Claisen-type reaction to produce the ethyl ester of 3-[[2-(dipropylamino)ethyl]-6-nitrophenyl]pyruvic acid. Hydrolysis and decarboxylation of the acid with peroxide and base removes the ethoxycarbonyl group and forms 2-[2-(dipropylamino)ethyl]-6-nitrophenylacetic acid. Cyclization to the product is effected by catalytic reduction of the nitro group、using palladium、hydrogen to give the amine、which through loss of water forms the lactam (indolone). Heating with HCl forms ...、ropinirole hydrochloride、.、Ropinirole hydrochloride、Preparation: G. Gallagher、Jr.、United States of America patent 4452808 (1984 to SmithKline Beckman)、Formulations、Preparations: Table: Ropinirole Hydrochloride Preparations [Table#8233]。

PubChem 公开数据

罗匹尼罗(CAS 91374-21-9)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number91374-21-9
PubChem CID5095
Molecular formulaC16H24N2O
IUPAC name4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
UNII (FDA)030PYR8953

计算分子描述符

Molecular Weight260.37
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass260.188863393
Monoisotopic Mass260.188863393
Topological Polar Surface Area32.3
Heavy Atom Count19

在册的理化数值

Boiling Point410.5±45.0 °C at 760 mmHg
Melting Point243-250 °C
Melting Point243 - 250 °C
Solubility133
Solubility3.53e-01 g/L
LogP3.06
LogPlog Kow = 2.70
LogP2.3
LogP2.84
Dissociation Constants10.17

在册的记载用途

    Antiparkinson Agents; Dopamine AgonistsUse (kg; approx.) in Germany (2009): >75

    同义词与商品名

    ropinirole; 91374-21-9; ropinirol; Ropinirolum; Ropitor; SKF 101468; SK&F 101468; Narapin; DTXSID8045195; 4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one; NSC-758917; 030PYR8953; SK&F-101468; CHEBI:8888; DTXCID6025195; Adartrel

    GHS 危害分类

    Reported hazard statementsH302 (100%), H412 (100%), H400, H410

    H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

    H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

    公开数据库对它的描述

    Ropinirole · CAS 91374-21-9 · C16H24N2O. UNII 030PYR8953. Boiling Point: 410.5±45.0 °C at 760 mmHg; Melting Point: 243-250 °C; Melting Point: 243 - 250 °C.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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