Sultamicillin hydrochlorideProduct ingredient for Sultamicillin
- Name
- Sultamicillin hydrochloride
- Drug Entry
- Sultamicillin
Sultamicillin has been used in trials studying the prevention and treatment of Ventilator Associated Pneumonia and Chronic Obstructive Pulmonary Disease (COPD).
- Accession Number
- DBSALT002139
- Structure
Structure for Sultamicillin hydrochloride (DBSALT002139)
- Synonyms
- Sultamicillin HCl
- UNII
- SUI1Z5PXSN
- CAS Number
- 76203-99-1
- Weight
- Average: 631.11
Monoisotopic: 630.1220986 - Chemical Formula
- C25H31ClN4O9S2
- InChI Key
- JLBADLWTHWGGNE-CGAOXQFVSA-N
- InChI
- InChI=1S/C25H30N4O9S2.ClH/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);1H/t14-,15-,16-,17+,18+,21-;/m1./s1
- IUPAC Name
- [(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyloxy]methyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride
- SMILES
- Cl.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C
- External Links
- ChemSpider
- 19968496
- Predicted Properties
Property Value Source Water Solubility 0.283 mg/mL ALOGPS logP 1.55 ALOGPS logP -0.4 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 11.71 Chemaxon pKa (Strongest Basic) 7.23 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 182.48 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 138.12 m3·mol-1 Chemaxon Polarizability 58.76 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon