1. Primary Information
| English name: | Atorvastatin-Amlodipine Adduct |
| CAS No.: | 425408-16-8 |
| Molecular formula: | C53H58ClFN4O9 |
| Molecular weight: | 949.5 g/mol |
| SMILES: | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)CC(CC(CCN3C(=C(C(=C3C(C)C)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥90% | 2320 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
4.2 InChI
InChI=1S/C53H58ClFN4O9/c1-6-68-53(65)47-42(57-33(4)44(52(64)66-5)46(47)40-19-13-14-20-41(40)54)31-67-28-26-56-43(62)30-39(61)29-38(60)25-27-59-49(32(2)3)48(51(63)58-37-17-11-8-12-18-37)45(34-15-9-7-10-16-34)50(59)35-21-23-36(55)24-22-35/h7-24,32,38-39,46,57,60-61H,6,25-31H2,1-5H3,(H,56,62)(H,58,63)/t38-,39-,46?/m1/s1
4.3 InChIKey
MCXKYSIVTQMUGD-CMOYLYLHSA-N
4.4 Canonical SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)CC(CC(CCN3C(=C(C(=C3C(C)C)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F)O)O
4.5 Isomeric SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)C[C@@H](C[C@@H](CCN3C(=C(C(=C3C(C)C)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F)O)O
