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Cefditoren Pivoxil Impurity 60

CAT: 1299-RM-C042060-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042060-01Size:10 mg
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CAS Number
2254227-50-2
Synonyms
(pivaloyloxy) methyl (6R,7R) -7- ((Z) -2- (2- ((hydroxymethyl) amino) thiazol-4-yl) -2- (methoxyimino) acetamido) -3- ((Z) -2- (4-methylthiazol-5-yl) vinyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C26H30N6O8S3
Molecular Weight
650.74
Target Alternative Name
Cefditoren Pivoxil
Product Name Synonym
(pivaloyloxy) methyl (6R,7R) -7- ((Z) -2- (2- ((hydroxymethyl) amino) thiazol-4-yl) -2- (methoxyimino) acetamido) -3- ((Z) -2- (4-methylthiazol-5-yl) vinyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Information

Cefditoren Pivoxil Impurity 60
CAS Number2254227-50-2
PubChem CID176478677
IUPAC Name2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-(hydroxymethylamino)-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 FormulaC26H30N6O8S3
Molecular Weight650.8
XLogP4.7
Topological Polar Surface Area263
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity1190
SMILES
CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)NCO)SC2)C(=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C26H30N6O8S3/c1-13-16(43-11-28-13)7-6-14-8-41-22-18(30-20(34)17(31-38-5)15-9-42-25(29-15)27-10-33)21(35)32(22)19(14)23(36)39-12-40-24(37)26(2,3)4/h6-7,9,11,18,22,33H,8,10,12H2,1-5H3,(H,27,29)(H,30,34)/b7-6-,31-17-/t18-,22-/m1/s1
InChIKey
REDYXEHWCOYHJS-ORMJSGGESA-N
Chemical Structure
2D Structure
2D structure of Cefditoren Pivoxil Impurity 60
CAS: 2254227-50-2
CID: 176478677
Formula: C26H30N6O8S3
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.8
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Exact Mass650.12872546
Monoisotopic Mass650.12872546
Topological Polar Surface Area263 Ų
Heavy Atom Count43
Formal Charge0
Complexity1190
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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