Bioactive Compound Details

BioIDbio200026
NameCARBENICILLIN INDANYL SODIUM
ChEMBL IDCHEMBL1200991
Molecular FormulaC26H25N2NaO6S
Molecular Weight516.55
Molecular Weight (Monoisotopic)494.1512
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsCARBENICILLIN INDANYL SODIUM|CARINDACILLIN SODIUM|CARINDACILLIN SODIUM SALT|CP-15,464-2|CP-15464-2|GEOCILLIN
SmilesCC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
InchiInChI=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
Inchi KeyQFWPXOXWAUAYAB-XZVIDJSISA-M
Molecular SpeciesACID
Targets1.0
Bioactivities14.0
Np Likeness Score0.25
Records Key['CARBENICILLIN INDANYL SODIUM', 'carbenicillin indanyl sodium', 'CARBENICILLIN INDANYL SODIUM', 'CARBENICILLIN INDANYL SODIUM']
Records Name['CARBENICILLIN INDANYL SODIUM', 'carbenicillin indanyl sodium', 'CARBENICILLIN INDANYL SODIUM', 'CARBENICILLIN INDANYL SODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure