Cefditoren pivoxilProduct ingredient for Cefditoren

Name
Cefditoren pivoxil
Drug Entry
Cefditoren

Cefditoren is an oral third-generation cephalosporin. It is commonly marketed under the trade name Spectracef by Cornerstone BioPharma.

Accession Number
DBSALT001811
Structure
Thumb
Synonyms
CDTR-PI / Cefditoren pivaloyloxymethyl ester
UNII
78THA212DH
CAS Number
117467-28-4
Weight
Average: 620.71
Monoisotopic: 620.118160788
Chemical Formula
C25H28N6O7S3
InChI Key
AFZFFLVORLEPPO-UVYJNCLZSA-N
InChI
InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1
IUPAC Name
[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy]methyl 2,2-dimethylpropanoate
SMILES
[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(=O)OCOC(=O)C(C)(C)C
KEGG Drug
D01628
ChemSpider
4942398
ChEBI
560555
ChEMBL
CHEMBL454446
ZINC
ZINC000003916973
Wikipedia
Cefditoren
Predicted Properties
PropertyValueSource
Water Solubility0.0134 mg/mLALOGPS
logP2.9ALOGPS
logP2.82ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)10.82ChemAxon
pKa (Strongest Basic)4.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area175.4 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity152.9 m3·mol-1ChemAxon
Polarizability62.65 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon