1. Primary Information
| English name: | Tiamulin-d10 Hydrochloride |
| CAS No.: | 1322626-74-3 |
| Molecular formula: | C28H48ClNO4S |
| Molecular weight: | 540.3 g/mol |
| SMILES: | CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | - | 3200 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethylsulfanyl]acetate;hydrochloride
4.2 InChI
InChI=1S/C28H47NO4S.ClH/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1H/t19?,20-,22+,24-,25-,26+,27-,28?;/m0./s1/i2D3,3D3,9D2,10D2;
4.3 InChIKey
WRHXJTYYMRJQPZ-XAUQTLEFSA-N
4.4 Canonical SMILES
CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.Cl
4.5 Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])N(CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H](C23CCC([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C)C([2H])([2H])C([2H])([2H])[2H].Cl
