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Cefditoren Pivoxil HCl

CAT: 0013-GTR19209454-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209454-01Size:25 mg
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Description
Cefditoren pivoxil is a third-generation cephalosporin prodrug, hydrolyzed to active cefditoren which inhibits bacterial cell wall synthesis via penicillin-binding proteins. It is used in research for studying antibiotic efficacy against respiratory and skin infections in both in vitro and in vivo models.
CAS Number
1448435-17-3
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
Cl.[H][C@]12SCC (\C=C/c3scnc3C) =C (N1C (=O) [C@H]2NC (=O) C (=N/OC) \c1csc (N) n1) C (=O) OCOC (=O) C (C) (C) C
Molecular Formula
C25H29ClN6O7S3
Molecular Weight
657.172
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cefditoren Pivoxil

Cefditoren pivoxil is the pivaloyloxymethyl ester prodrug of cefditoren. It has a role as an antibacterial drug and a prodrug. It is a pivaloyloxymethyl ester, a member of cephams, an oxime O-ether and a member of 1,3-thiazoles. It is functionally related to a cefditoren.

CAS Number1448435-17-3
PubChem CID6437877
IUPAC Name2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC25H28N6O7S3
Molecular Weight620.7
XLogP4.7
Topological Polar Surface Area257
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity1160
SMILES
CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
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
InChIKey
AFZFFLVORLEPPO-UVYJNCLZSA-N
Chemical Structure
2D Structure
2D structure of Cefditoren Pivoxil
CAS: 1448435-17-3
CID: 6437877
Formula: C25H28N6O7S3
MW: 620.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.7
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass620.11816077
Monoisotopic Mass620.11816077
Topological Polar Surface Area257 Ų
Heavy Atom Count41
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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