1. Primary Information
| English name: | Demeclocycline hydrochloride |
| CAS No.: | 64-73-3 |
| Molecular formula: | C21H22Cl2N2O8 |
| Molecular weight: | 501.3 g/mol |
| SMILES: | CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl |
| Structural class: | |
| Other identifiers: |
Declomycin Demeclocycline Demeclocycline Hydrochloride Demeclocycline Monohydrochloride Demeclocycline, 4-epimer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 96% | 1352 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | ≥90%(HPLC) | 88 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥90%(HPLC) | 172 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | ≥90%(HPLC) | 416 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | ≥90%(HPLC) | 672 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
4.2 InChI
InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
4.3 InChIKey
OAPVUSSHCBRCOL-KBHRXELFSA-N
4.4 Canonical SMILES
CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl
4.5 Isomeric SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl
