1. Primary Information
| English name: | Mitiglinide calcium |
| CAS No.: | 145525-41-3 |
| Molecular formula: | C38H48CAN2O6 |
| Molecular weight: | 668.9 g/mol |
| SMILES: | C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].[Ca+2] |
| Structural class: | |
| Other identifiers: |
2-benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate KAD 1229 KAD-1229 miti-glinide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥99% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | ≥98% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥98% | 60 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 152 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 520 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
4.2 InChI
InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1
4.3 InChIKey
PMRVFZXOCRHXFE-FMEJWYFOSA-L
4.4 Canonical SMILES
C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
4.5 Isomeric SMILES
C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
