1. Primary Information
| English name: | Pitavastatin Calcium |
| CAS No.: | 147526-32-7 |
| Molecular formula: | C50H46CAF2N2O8 |
| Molecular weight: | 881.0 g/mol |
| SMILES: | C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2] |
| Structural class: | |
| Other identifiers: |
(E,3R,5S)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid itavastatin itavastatin calcium nisvastatin NK 104 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 240 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 72 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 108 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 280 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 960 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 3200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
4.2 InChI
InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
4.3 InChIKey
RHGYHLPFVJEAOC-FFNUKLMVSA-L
4.4 Canonical SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]
4.5 Isomeric SMILES
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
