Prazocillin
(2S,5R,6R)-6-[[1-(2,6-dichlorophenyl)-4-methylpyrazole-5-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H18Cl2N4O4S |
|---|---|
| Molecular Weight | 469.3 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 130.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.04257 |
| Heavy Atoms | 30 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 15949-72-1 |
|---|---|
| SMILES | CC1=C(N(N=C1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| InChIKey | XRCKXULNIUSXFZ-HYSWKAIVSA-N |
📖 Product Overview
Prazocillin (CAS: 15949-72-1) is a chemical compound with molecular formula C19H18Cl2N4O4S and molecular weight 469.3 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[1-(2,6-dichlorophenyl)-4-methylpyrazole-5-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
XRCKXULNIUSXFZ-HYSWKAIVSA-N.
SMILES: CC1=C(N(N=C1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.
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