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Cefpodoxime Proxetil Impurity 12

CAT: 1299-RM-C061612-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C061612-01Size:10 mg
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CAS Number
1192365-87-9
Synonyms
(6R,7R) -1- ((isopropoxycarbonyl) oxy) ethyl 7- ((Z) -2- (2- ((isopropoxycarbonyl) amino) thiazol-4-yl) -2- (methoxyimino) acetamido) -3- (methoxymethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C25H33N5O11S2
Molecular Weight
643.69
Target Alternative Name
Cefpodoxime
Product Name Synonym
(6R,7R) -1- ((isopropoxycarbonyl) oxy) ethyl 7- ((Z) -2- (2- ((isopropoxycarbonyl) amino) thiazol-4-yl) -2- (methoxyimino) acetamido) -3- (methoxymethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Information

Cefpodoxime Proxetil Isopropylcarbamate
CAS Number1192365-87-9
PubChem CID131667439
IUPAC Name1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-methoxyimino-2-[2-(propan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC25H33N5O11S2
Molecular Weight643.7
XLogP1.6
Topological Polar Surface Area247
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count43
Formal Charge0
Complexity1150
SMILES
CC(C)OC(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC)C(=O)OC(C)OC(=O)OC(C)C
InChI
InChI=1S/C25H33N5O11S2/c1-11(2)38-24(34)28-23-26-15(10-43-23)16(29-37-7)19(31)27-17-20(32)30-18(14(8-36-6)9-42-21(17)30)22(33)40-13(5)41-25(35)39-12(3)4/h10-13,17,21H,8-9H2,1-7H3,(H,27,31)(H,26,28,34)/b29-16-/t13?,17-,21-/m1/s1
InChIKey
BVYVVPBBTOLQNJ-WQXHCFAYSA-N
Chemical Structure
2D Structure
2D structure of Cefpodoxime Proxetil Isopropylcarbamate
CAS: 1192365-87-9
CID: 131667439
Formula: C25H33N5O11S2
MW: 643.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.7
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass643.16179923
Monoisotopic Mass643.16179923
Topological Polar Surface Area247 Ų
Heavy Atom Count43
Formal Charge0
Complexity1150
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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