1. Primary Information
| English name: | Escitalopram Oxalate |
| CAS No.: | 219861-08-2 |
| Molecular formula: | C22H23FN2O5 |
| Molecular weight: | 414.4 g/mol |
| SMILES: | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
Escitalopram Escitalopram Oxalate Lexapro |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥99% | 256 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 32 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 84 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 296 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 1040 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
4.2 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)/t20-;/m0./s1
4.3 InChIKey
KTGRHKOEFSJQNS-BDQAORGHSA-N
4.4 Canonical SMILES
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
4.5 Isomeric SMILES
CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
