1. Primary Information
| English name: | Imipenem and cilastatin |
| CAS No.: | 92309-29-0 |
| Molecular formula: | C28H43N5O9S2 |
| Molecular weight: | 657.8 g/mol |
| SMILES: | CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C |
| Structural class: | |
| Other identifiers: |
Cilastatin, Imipenem cilastatin, imipenem drug combination imipenem - cilastatin Imipenem - Cilastatin Sodium Imipenem Cilastatin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 含量:Imipenem≥400μg/mg，Cilastatin≥400μg/mg | 640 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 含量:Imipenem≥400μg/mg，Cilastatin≥400μg/mg | 2880 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid;(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
4.2 InChI
InChI=1S/C16H26N2O5S.C12H17N3O4S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/b12-6-;/t10-,11+;6-,7-,9-/m11/s1
4.3 InChIKey
NCCJWSXETVVUHK-ZYSAIPPVSA-N
4.4 Canonical SMILES
CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C
4.5 Isomeric SMILES
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C
