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Cefixime Impurity 5

CAT: 1299-RM-C241331-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C241331-02Size:25 mg
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CAS Number
246035-38-1
Synonyms
(Z) -methyl 2- (((1- (2-aminothiazol-4-yl) -2- (benzo[d]thiazol-2-ylthio) -2-oxoethylidene) amino) oxy) acetate
Molecular Formula
C15H12N4O4S3
Molecular Weight
408.48
Target Alternative Name
Cefixime
Product Name Synonym
(Z) -methyl 2- (((1- (2-aminothiazol-4-yl) -2- (benzo[d]thiazol-2-ylthio) -2-oxoethylidene) amino) oxy) acetate

Chemical Information

Methyl ((((1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene)amino)oxy)acetate
CAS Number246035-38-1
PubChem CID10927678
IUPAC Namemethyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate
Molecular FormulaC15H12N4O4S3
Molecular Weight408.5
XLogP4.1
Topological Polar Surface Area199
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity565
SMILES
COC(=O)CO/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)/b19-12-
InChIKey
OAMJLTUHASKYSM-UNOMPAQXSA-N
Chemical Structure
2D Structure
2D structure of Methyl ((((1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene)amino)oxy)acetate
CAS: 246035-38-1
CID: 10927678
Formula: C15H12N4O4S3
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass408.00206840
Monoisotopic Mass408.00206840
Topological Polar Surface Area199 Ų
Heavy Atom Count26
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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