1. Primary Information
| English name: | Oxytetracycline dihydrate |
| CAS No.: | 6153-64-6 |
| Molecular formula: | C22H28N2O11 |
| Molecular weight: | 496.5 g/mol |
| SMILES: | CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O |
| Structural class: | |
| Other identifiers: |
Bisolvomycin Geomycin Hydroxytetracycline Oxyterracin Oxyterracine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | 97% | 616 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 97% | 57 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 97% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 97% | 460 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;dihydrate
4.2 InChI
InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
4.3 InChIKey
IMLJLCJZQLGHJS-JEKSYDDFSA-N
4.4 Canonical SMILES
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O
4.5 Isomeric SMILES
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O
