1. Primary Information
| English name: | Spectinomycin Hydrochloride |
| CAS No.: | 22189-32-8 |
| Molecular formula: | C14H36Cl2N2O12 |
| Molecular weight: | 495.3 g/mol |
| SMILES: | CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl |
| Structural class: | |
| Other identifiers: |
Actinospectacin Adspec Ferkel Spectam Kempi Prospec |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | 效价测定 | 264 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | USP级，779u/mg | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | USP级，779u/mg | 288 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | USP级，779u/mg | 960 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride
4.2 InChI
InChI=1S/C14H24N2O7.2ClH.5H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;;;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1
4.3 InChIKey
DCHJOVNPPSBWHK-UXXUFHFZSA-N
4.4 Canonical SMILES
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
4.5 Isomeric SMILES
C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
