1. Primary Information
| English name: | Minocycline-d6 Dihydrochloride |
| CAS No.: | 1036070-10-6 |
| Molecular formula: | C23H29Cl2N3O7 |
| Molecular weight: | 536.4 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.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 丰度：≥98%；纯度：≥95% | 8000 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,4aS,5aR,12aR)-7-[bis(trideuteriomethyl)amino]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrochloride
4.2 InChI
InChI=1S/C23H27N3O7.2ClH/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);2*1H/t9-,11-,17-,23-;;/m0../s1/i1D3,2D3;;
4.3 InChIKey
WFRONWCNHNRGLC-ZPEOJIAISA-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.Cl
4.5 Isomeric SMILES
[2H]C([2H])([2H])N(C1=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)O)C(=O)N)N(C)C)C([2H])([2H])[2H].Cl.Cl
