1. Primary Information
| English name: | Fexofenadine Hydrochloride |
| CAS No.: | 138452-21-8 |
| Molecular formula: | C32H40ClNO4 |
| Molecular weight: | 538.1 g/mol |
| SMILES: | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.Cl |
| Structural class: | |
| Other identifiers: |
Allegra alpha-(4-(1-carboxy-1-methylethyl)phenyl)-4-hydroxydiphenylmethyl-1-piperidinebutanol fexofenadine fexofenadine hydrochloride MDL 16,455A |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 192 | −20℃ | in stock | - |
| Kehua Intelligence | 10mg | HPLC≥98% | 344 | −20℃ | in stock | - |
| Kehua Intelligence | 25mg | HPLC≥98% | 680 | −20℃ | in stock | - |
| Kehua Intelligence | 50mg | HPLC≥98% | 1096 | −20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
4.2 InChI
InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H
4.3 InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.Cl
4.5 Isomeric SMILES
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