1. Primary Information
| English name: | Arbidol Hydrochloride |
| CAS No.: | 131707-23-8 |
| Molecular formula: | C22H26BRClN2O3S |
| Molecular weight: | 513.9 g/mol |
| SMILES: | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl |
| Structural class: | |
| Other identifiers: |
1-methyl-2-((phenylthio)methyl)-3-carbethoxy-4-((dimethylamino)methyl)-5-hydroxy-6-bromoindole 1H-indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester arbidol arbidole umifenovir |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 96 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 28 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 80 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 240 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
4.2 InChI
InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H
4.3 InChIKey
OMZHXQXQJGCSKN-UHFFFAOYSA-N
4.4 Canonical SMILES
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl
4.5 Isomeric SMILES
-
