1. Primary Information
| English name: | Minocycline hydrochloride |
| CAS No.: | 13614-98-7 |
| Molecular formula: | C23H28ClN3O7 |
| Molecular weight: | 493.9 g/mol |
| SMILES: | CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl |
| Structural class: | |
| Other identifiers: |
Akamin Akne Puren Akne-Puren Aknemin Aknin Mino |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 129 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 高纯，98% | 32 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 高纯，98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 高纯，98% | 416 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 高纯，98% | 1600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
4.2 InChI
InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1
4.3 InChIKey
WTJXVDPDEQKTCV-VQAITOIOSA-N
4.4 Canonical SMILES
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl
4.5 Isomeric SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl
