Temocillin SodiumProduct ingredient for Temocillin
- Name
- Temocillin Sodium
- Drug Entry
- Temocillin
Temocillin has been investigated in Infection, Liver Dysfunction, and Urinary Tract Infection.
- Accession Number
- DBSALT002179
- Structure
Structure for Temocillin Sodium (DBSALT002179)
- Synonyms
- Not Available
- UNII
- 96IIP39ODH
- CAS Number
- 61545-06-0
- Weight
- Average: 458.41
Monoisotopic: 458.01943177 - Chemical Formula
- C16H16N2Na2O7S2
- InChI Key
- MRGCZDWBFFUEES-CWBCWDDISA-L
- InChI
- InChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1
- IUPAC Name
- disodium (2S,5R,6S)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- [Na+].[Na+].CO[C@]1(NC(=O)C(C([O-])=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.199 mg/mL ALOGPS logP 1.76 ALOGPS logP 1.2 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 3.1 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 138.9 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.89 m3·mol-1 Chemaxon Polarizability 38.19 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon