Sulbactam benzathineProduct ingredient for Sulbactam

Name
Sulbactam benzathine
Drug Entry
Sulbactam

Sulbactam is a beta (β)-lactamase inhibitor and a derivative of the basic penicillin nucleus.6 When given in combination with β-lactam antibiotics, sulbactam produces a synergistic effect as it blocks the enzyme responsible for drug resistance by hydrolyzing β-lactams.2

Accession Number
DBSALT002843
Structure
Synonyms
Sulbactam benzathine
External IDs
CP-45,899-99 / CP-45899-99
UNII
49MU89FVBV
CAS Number
83031-43-0
Weight
Average: 706.83
Monoisotopic: 706.234235916
Chemical Formula
C32H42N4O10S2
InChI Key
YSEPFTSCLHUBNH-HFKSPEPWSA-N
InChI
InChI=1S/C16H20N2.2C8H11NO5S/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h1-10,17-18H,11-14H2;2*5-6H,3H2,1-2H3,(H,11,12)/t;2*5-,6+/m.11/s1
IUPAC Name
bis((2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid); benzyl[2-(benzylamino)ethyl]amine
SMILES
[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O.[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O.C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1
ChemSpider
10128656
ChEMBL
CHEMBL3989650
Predicted Properties
PropertyValueSource
Water Solubility48.5 mg/mLALOGPS
logP-0.92ALOGPS
logP2.89Chemaxon
logS-0.68ALOGPS
pKa (Strongest Basic)8.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area24.06 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity76.64 m3·mol-1Chemaxon
Polarizability29.15 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon