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Cefpodoxime proxetil impurity E

CAT: 0926-FC63696-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FC63696-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217803-89-9
Smiles
CC (C) OC (=O) OC (C) OC (=O) C1=C (CS[C@H]2N1C (=O) [C@H]2NC (=O) /C (=N\OC) /C3=CSC (=N3) N) COC (=O) C
Molecular Formula
C22H27N5O10S2
Molecular Weight
585.61 g/mol
Controlled
No

Chemical Information

Cefotaxime proxetil
CAS Number217803-89-9
PubChem CID10627156
IUPAC Name1-propan-2-yloxycarbonyloxyethyl (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC22H27N5O10S2
Molecular Weight585.6
XLogP0.6
Topological Polar Surface Area252
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Heavy Atom Count39
Formal Charge0
Complexity1070
SMILES
CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC(=O)C
InChI
InChI=1S/C22H27N5O10S2/c1-9(2)35-22(32)37-11(4)36-20(31)16-12(6-34-10(3)28)7-38-19-15(18(30)27(16)19)25-17(29)14(26-33-5)13-8-39-21(23)24-13/h8-9,11,15,19H,6-7H2,1-5H3,(H2,23,24)(H,25,29)/b26-14-/t11?,15-,19-/m1/s1
InChIKey
JRBKWVHQXXREQH-KMMUMHRISA-N
Chemical Structure
2D Structure
2D structure of Cefotaxime proxetil
CAS: 217803-89-9
CID: 10627156
Formula: C22H27N5O10S2
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Exact Mass585.11993442
Monoisotopic Mass585.11993442
Topological Polar Surface Area252 Ų
Heavy Atom Count39
Formal Charge0
Complexity1070
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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