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Cefixime EP Impurity A

CAT: 1299-RM-C241301-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C241301-02Size:25 mg
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CAS Number
1614255-90-1
Synonyms
2- ((Z) -2- (2-aminothiazol-4-yl) -2- ((carboxymethoxy) imino) acetamido) -2- ((2R) -5-methyl-7-oxo-2,4,5,7-tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl) acetic acid
Molecular Formula
C16H17N5O8S2
Molecular Weight
471.46
Target Alternative Name
Cefixime
Product Name Synonym
2- ((Z) -2- (2-aminothiazol-4-yl) -2- ((carboxymethoxy) imino) acetamido) -2- ((2R) -5-methyl-7-oxo-2,4,5,7-tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl) acetic acid

Chemical Information

Cefixime EP Impurity A
CAS Number1614255-90-1
PubChem CID122535862
IUPAC Name2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-2-[(2R)-5-methyl-7-oxo-1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]acetic acid
Molecular FormulaC16H17N5O8S2
Molecular Weight471.5
XLogP0.4
Topological Polar Surface Area256
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity850
SMILES
CC1C2=C(C(=O)O1)N[C@H](SC2)C(C(=O)O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N
InChI
InChI=1S/C16H17N5O8S2/c1-5-6-3-30-13(20-9(6)15(27)29-5)11(14(25)26)19-12(24)10(21-28-2-8(22)23)7-4-31-16(17)18-7/h4-5,11,13,20H,2-3H2,1H3,(H2,17,18)(H,19,24)(H,22,23)(H,25,26)/b21-10-/t5?,11?,13-/m1/s1
InChIKey
AASJUVXHJFSORA-FNOWFJSISA-N
Chemical Structure
2D Structure
2D structure of Cefixime EP Impurity A
CAS: 1614255-90-1
CID: 122535862
Formula: C16H17N5O8S2
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass471.05185486
Monoisotopic Mass471.05185486
Topological Polar Surface Area256 Ų
Heavy Atom Count31
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes