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219861-08-2
bosschem
219861-08-2
| Escitalopram oxalate Basic information | |
| Product Name: | Escitalopram oxalate |
| Synonyms: | (S)-CITALOPRAM;1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran-carbonitrile oxalate;ESCITALOPRAM OXALATE;S-(+)-CITAPROLAM OXALATE;S-(+)-1-3-(dimethyl-amino)propyl-1-(p-fluorophenyl)-5-phthalancarbonitrileoxalate;ESCIFALOPRAMOXALATE;(S)-Citalopram-d6;1S)-1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dihydro -5-isobenzofurancarbonitrile |
| CAS: | 219861-08-2 |
| MF: | C22H23FN2O5 |
| MW: | 414.43 |
| EINECS: | 620-544-8 |
| Product Categories: | Intermediates & Fine Chemicals;Neurochemicals;Antidepressant;Heterocyclic Compounds;Pharmaceuticals;Inhibitors;Isotope Labeled Compounds;Isotope Labelled Compounds;Aromatics;Chiral Reagents;Heterocycles;Pharmaceutical intermdiate;CHLORESIUM;Other APIs;Escitalopram |
| Mol File: | 219861-08-2.mol |
| Escitalopram oxalate Chemical Properties | |
| Melting point | 152-153°C |
| alpha | D +12.31° (c = 1 in methanol) |
| storage temp. | 2-8°C |
| solubility | DMSO: ≥15mg/mL |
| form | powder |
| color | white to tan |
| Merck | 142,318 |
| BCS Class | 1 |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | KTGRHKOEFSJQNS-UHFFFAOYSA-N |
| SMILES | C1(CCCN(C)C)(C2=CC=C(F)C=C2)C2=C(C=C(C#N)C=C2)CO1.C(O)(=O)C(O)=O |
| CAS DataBase Reference | 219861-08-2(CAS DataBase Reference) |
Contents 项 目 | Specification:USP42 标 准：USP42 | Results of analysis 检验结果 | |||
Appearance 性状 Identification 鉴别 Water 水分 Residue on ignition 炽灼残渣 Enantiomeric Purity 对映体纯度 Residual solvents 残留溶剂 Related substances 有关物质 Assay(dried substance) 含量(以干品计) | White to yellowish powder 白色至微黄色粉末 (1) Comparing with the spectrum obtained with CRS 红外光吸收图谱应与对照品图谱相一致 (2) The retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution 供试品溶液的主峰保留时间应与对照品溶液的相一致 ≤1.0% ≤0. 1% Not more than3.0% 不得超过3.0% (1) Methanol: not more than 0.3% 甲醇：不得超过 0.3% (2) Ethanol: not more than 0.5% 乙醇：不得超过 0.5% (3) Terahydrofuram: not more than 0.072% 四氢呋喃：不得超过 0.072% (4) Toluene: not more than 0.089% 甲苯：不得超过 0.089% (1) 5-Dimethylamino butyryl citalopram:Not more than 0.2% 5-二甲基氨基酰西酞普兰：不得超过 0.2% (2) Citalopram related compound A: Not more than 0. 1% 西酞普兰有关物质 A：不得超过 0. 1% (3) Cltalopram related compound B:Not more than 0. 1% 西酞普兰有关物质 B：不得超过 0. 1% (4) Citalopram related compound C:Not more than 0. 1% 西酞普兰有关物质 C：不得超过 0. 1% (5) Citalopram related compound D:Not more than 0. 1% 西酞普兰有关物质 D：不得超过 0. 1% (6) Citalopram related compound E:Not more than0. 1% 西酞普兰有关物质 E：不得超过 0. 1% (7) Any other individual impurity: Not more than 0. 1% 其它单杂：均不得超过 0. 1% (8) Total impurities not more than 0.5% 总杂质≤0.5% 98.0%- 102.0% | Yellowish powder 微黄色粉末 Conform 符合 Conform 符合 0.5% ＜0. 1% 0.6% 0.001% 0.01% 0.00006% 0.00005% Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 0.06% 0. 1% 99.8% | |||
结论：符合 USP42。 | |||||
| Escitalopram oxalate Basic information | |
| Product Name: | Escitalopram oxalate |
| Synonyms: | (S)-CITALOPRAM;1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran-carbonitrile oxalate;ESCITALOPRAM OXALATE;S-(+)-CITAPROLAM OXALATE;S-(+)-1-3-(dimethyl-amino)propyl-1-(p-fluorophenyl)-5-phthalancarbonitrileoxalate;ESCIFALOPRAMOXALATE;(S)-Citalopram-d6;1S)-1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dihydro -5-isobenzofurancarbonitrile |
| CAS: | 219861-08-2 |
| MF: | C22H23FN2O5 |
| MW: | 414.43 |
| EINECS: | 620-544-8 |
| Product Categories: | Intermediates & Fine Chemicals;Neurochemicals;Antidepressant;Heterocyclic Compounds;Pharmaceuticals;Inhibitors;Isotope Labeled Compounds;Isotope Labelled Compounds;Aromatics;Chiral Reagents;Heterocycles;Pharmaceutical intermdiate;CHLORESIUM;Other APIs;Escitalopram |
| Mol File: | 219861-08-2.mol |
| Escitalopram oxalate Chemical Properties | |
| Melting point | 152-153°C |
| alpha | D +12.31° (c = 1 in methanol) |
| storage temp. | 2-8°C |
| solubility | DMSO: ≥15mg/mL |
| form | powder |
| color | white to tan |
| Merck | 142,318 |
| BCS Class | 1 |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | KTGRHKOEFSJQNS-UHFFFAOYSA-N |
| SMILES | C1(CCCN(C)C)(C2=CC=C(F)C=C2)C2=C(C=C(C#N)C=C2)CO1.C(O)(=O)C(O)=O |
| CAS DataBase Reference | 219861-08-2(CAS DataBase Reference) |
Contents 项 目 | Specification:USP42 标 准：USP42 | Results of analysis 检验结果 | |||
Appearance 性状 Identification 鉴别 Water 水分 Residue on ignition 炽灼残渣 Enantiomeric Purity 对映体纯度 Residual solvents 残留溶剂 Related substances 有关物质 Assay(dried substance) 含量(以干品计) | White to yellowish powder 白色至微黄色粉末 (1) Comparing with the spectrum obtained with CRS 红外光吸收图谱应与对照品图谱相一致 (2) The retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution 供试品溶液的主峰保留时间应与对照品溶液的相一致 ≤1.0% ≤0. 1% Not more than3.0% 不得超过3.0% (1) Methanol: not more than 0.3% 甲醇：不得超过 0.3% (2) Ethanol: not more than 0.5% 乙醇：不得超过 0.5% (3) Terahydrofuram: not more than 0.072% 四氢呋喃：不得超过 0.072% (4) Toluene: not more than 0.089% 甲苯：不得超过 0.089% (1) 5-Dimethylamino butyryl citalopram:Not more than 0.2% 5-二甲基氨基酰西酞普兰：不得超过 0.2% (2) Citalopram related compound A: Not more than 0. 1% 西酞普兰有关物质 A：不得超过 0. 1% (3) Cltalopram related compound B:Not more than 0. 1% 西酞普兰有关物质 B：不得超过 0. 1% (4) Citalopram related compound C:Not more than 0. 1% 西酞普兰有关物质 C：不得超过 0. 1% (5) Citalopram related compound D:Not more than 0. 1% 西酞普兰有关物质 D：不得超过 0. 1% (6) Citalopram related compound E:Not more than0. 1% 西酞普兰有关物质 E：不得超过 0. 1% (7) Any other individual impurity: Not more than 0. 1% 其它单杂：均不得超过 0. 1% (8) Total impurities not more than 0.5% 总杂质≤0.5% 98.0%- 102.0% | Yellowish powder 微黄色粉末 Conform 符合 Conform 符合 0.5% ＜0. 1% 0.6% 0.001% 0.01% 0.00006% 0.00005% Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 Not detected 未检出 0.06% 0. 1% 99.8% | |||
结论：符合 USP42。 | |||||
Conclusion: Conforming toUSP42.
