Carbenicillin indanyl sodiumProduct ingredient for Carindacillin
- Name
- Carbenicillin indanyl sodium
- Drug Entry
- Carindacillin
Carindacillin or Carbenicillin isdanyl was an oral penicillin prodrug of carbenicillin marketed by Pfizer as Geocillin. It is no longer marketed in the United States.
- Accession Number
- DBSALT001303
- Structure
Structure for Carbenicillin indanyl sodium (DBSALT001303)
- Synonyms
- Carindacillin sodium
- UNII
- 4OUL81K2RT
- CAS Number
- 26605-69-6
- Weight
- Average: 516.54
Monoisotopic: 516.13310199 - Chemical Formula
- C26H25N2NaO6S
- InChI Key
- QFWPXOXWAUAYAB-XZVIDJSISA-M
- InChI
- InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1
- IUPAC Name
- sodium (2S,5R,6R)-6-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C([O-])=O
- External Links
- KEGG Compound
- C12712
- ChemSpider
- 391995
- ChEBI
- 31358
- ChEMBL
- CHEMBL1200991
- Wikipedia
- Carindacillin
- Predicted Properties
Property Value Source Water Solubility 0.00299 mg/mL ALOGPS logP 3.68 ALOGPS logP 3.63 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.29 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 115.84 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 139.08 m3·mol-1 Chemaxon Polarizability 50.19 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