1. Primary Information
| English name: | Penethamate Hydriodide |
| CAS No.: | 808-71-9 |
| Molecular formula: | C22H32IN3O4S |
| Molecular weight: | 561.5 g/mol |
| SMILES: | CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.I |
| Structural class: | |
| Other identifiers: |
benzylpenicillin-diethylaminoethyl ester hydroiodide Leocillin Mamyzin penethamate penethamate hydroiodide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | - | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide
4.2 InChI
InChI=1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1
4.3 InChIKey
XWRCFDRXQPRCCO-FLQNVMKHSA-N
4.4 Canonical SMILES
CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.I
4.5 Isomeric SMILES
CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C.I
