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Cefpodoxime Proxetil EP Impurity B

CAT: 1299-RM-C061602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C061602-01Size:10 mg
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CAS Number
947692-14-0
Synonyms
(6R,7R) -1- ((isopropoxycarbonyl) oxy) ethyl 7- ((Z) -2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C20H25N5O8S2
Molecular Weight
527.58
Target Alternative Name
Cefpodoxime
Product Name Synonym
(6R,7R) -1- ((isopropoxycarbonyl) oxy) ethyl 7- ((Z) -2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Information

Cefpodoxime Proxetil Impurity B
CAS Number947692-14-0
PubChem CID131888247
IUPAC Name1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC20H25N5O8S2
Molecular Weight527.6
XLogP1.3
Topological Polar Surface Area225
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity942
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OC(C)OC(=O)OC(C)C
InChI
InChI=1S/C20H25N5O8S2/c1-8(2)31-20(29)33-10(4)32-18(28)14-9(3)6-34-17-13(16(27)25(14)17)23-15(26)12(24-30-5)11-7-35-19(21)22-11/h7-8,10,13,17H,6H2,1-5H3,(H2,21,22)(H,23,26)/b24-12-/t10?,13-,17-/m1/s1
InChIKey
IETSABQUOKHCMQ-PUONPJMJSA-N
Chemical Structure
2D Structure
2D structure of Cefpodoxime Proxetil Impurity B
CAS: 947692-14-0
CID: 131888247
Formula: C20H25N5O8S2
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass527.11445512
Monoisotopic Mass527.11445512
Topological Polar Surface Area225 Ų
Heavy Atom Count35
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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