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Cefuracetime

CAT: 1410-M24358-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M24358-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cefuracetime (SKF81367) is a cephalosporin antibiotic.
CAS Number
39685-31-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
423.4
Molecular Formula
C17H17N3O8S
Notes
Research use only, not for human use.
Receptor
Antibiotic

Chemical Information

Cefuracetime
CAS Number39685-31-9
PubChem CID9571078
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC17H17N3O8S
Molecular Weight423.4
XLogP0.4
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity796
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CC=CO3)SC1)C(=O)O
InChI
InChI=1S/C17H17N3O8S/c1-8(21)28-6-9-7-29-16-12(15(23)20(16)13(9)17(24)25)18-14(22)11(19-26-2)10-4-3-5-27-10/h3-5,12,16H,6-7H2,1-2H3,(H,18,22)(H,24,25)/b19-11-/t12-,16-/m1/s1
InChIKey
YBHZVPYSEUQIII-DYJQDLSISA-N
Chemical Structure
2D Structure
2D structure of Cefuracetime
CAS: 39685-31-9
CID: 9571078
Formula: C17H17N3O8S
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass423.07363568
Monoisotopic Mass423.07363568
Topological Polar Surface Area173 Ų
Heavy Atom Count29
Formal Charge0
Complexity796
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

Alternative Products

CatalogName
MBS3613985-01Cefuracetime
HY-U00154RCefuracetime (Standard)
444161-01Cefuracetime (E-isomer) discontinued
TRC-C243940-100MGCefuracetime (E-isomer) Sodium Salt

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