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Cefuroxime Axetil EP Impurity C

CAT: 1596-AR-C04047-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C04047-01Size:10 Units
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CAS Number
76598-06-6
Synonyms
[6R-[6?,7? (Z) ]]-7-[[2-Furanyl (methoxyimino) acetyl]amino]-8-oxo-3-[[[[ (trichloroacetyl) amino]carbonyl]oxy]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Cefuroxime Axetil EP Impurity C (Cefuroxime Sodium EP D)
Molecular Formula
C18H15Cl3N4O9S
Molecular Weight
569.76
API Name
Cefuroxime

Chemical Information

N-(2,2,2-Trichloroacetyl)cefuroxime
CAS Number76598-06-6
PubChem CID71587280
IUPAC Name(6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC18H15Cl3N4O9S
Molecular Weight569.8
XLogP1.9
Topological Polar Surface Area202
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity1000
SMILES
CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O
InChI
InChI=1S/C18H15Cl3N4O9S/c1-32-24-9(8-3-2-4-33-8)12(26)22-10-13(27)25-11(15(28)29)7(6-35-14(10)25)5-34-17(31)23-16(30)18(19,20)21/h2-4,10,14H,5-6H2,1H3,(H,22,26)(H,28,29)(H,23,30,31)/b24-9-/t10-,14-/m1/s1
InChIKey
BGPGYDOAMAGXIO-HOYKSXRLSA-N
Chemical Structure
2D Structure
2D structure of N-(2,2,2-Trichloroacetyl)cefuroxime
CAS: 76598-06-6
CID: 71587280
Formula: C18H15Cl3N4O9S
MW: 569.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.8
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass567.962532
Monoisotopic Mass567.962532
Topological Polar Surface Area202 Ų
Heavy Atom Count35
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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