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Cefacetrile (Standard)

CAT: 0804-HY-A0253R-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0253R-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cefacetrile (Standard) is the analytical standard of Cefacetrile. This product is intended for research and analytical applications. Cefacetrile (Cephacetrile) is a broad-spectrum antibiotic that is effective in gram-positive and gram-negative bacterial infection[1][2].
CAS Number
10206-21-0
Product Name Alternative
Cephacetrile (Standard) ; Cephacetril (Standard)
UNSPSC
12352005
Target
Antibiotic; Bacterial; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/cefacetrile-standard.html
Smiles
O=C(C(N12)=C(COC(C)=O)CS[C@]2([H])[C@H](NC(CC#N)=O)C1=O)O
Molecular Formula
C13H13N3O6S
Molecular Weight
339.32
References & Citations
[1]M G Bals, et al. Cephacetrile, a new cephalosporin: in vitro, pharmacological and clinical evaluation. Infection. 1975;3 (3) :161-4. |[2]Neu H C, et al. In vitro evaluation of cephacetrile, a new cephalosporin antibiotic. The Journal of ntibiotics, 1972, 25 (7) : 400-404. |[3]G Esposti, et al. Effects of cephacetrile on reproduction cycle. Arzneimittelforschung. 1986 Mar;36 (3) :484-6. |[4]D K Luscombe, et al. Possible interaction between cephacetrile and frusemide in rabbits and rats. J Antimicrob Chemother. 1975 Mar;1 (1) :67-77.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Cefacetrile

Cefacetrile is a cephalosporin.

CAS Number10206-21-0
PubChem CID91562
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC13H13N3O6S
Molecular Weight339.33
XLogP-0.5
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity664
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O
InChI
InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
InChIKey
RRYMAQUWDLIUPV-BXKDBHETSA-N
Chemical Structure
2D Structure
2D structure of Cefacetrile
CAS: 10206-21-0
CID: 91562
Formula: C13H13N3O6S
MW: 339.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.33
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass339.05250632
Monoisotopic Mass339.05250632
Topological Polar Surface Area162 Ų
Heavy Atom Count23
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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