1. Primary Information
| English name: | Tilmicosin |
| CAS No.: | 108050-54-0 |
| Molecular formula: | C46H80N2O13 |
| Molecular weight: | 869.1 g/mol |
| SMILES: | CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC |
| Structural class: | |
| Other identifiers: |
20-deoxo-20-(3,5-dimethylpiperidin-1-yl)desmycosin EL 870 EL-870 MICOTIL 300 tilmicosin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1.2ml | 1000μg/ml in methanol | 832 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1ml | 100μg/ml in methanol | 416 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1.2ml | 1000μg/ml in methanol | 832 | -20℃，避光 | in stock | - |
| Kehua Intelligence | 1g | 85% | 102 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 85% | 230 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 85% | 562 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 85% | 1536 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
4.2 InChI
InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
4.3 InChIKey
JTSDBFGMPLKDCD-XVFHVFLVSA-N
4.4 Canonical SMILES
CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC
4.5 Isomeric SMILES
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
