Products for Research Use Only

Cefetecol

CAT: 0013-GTR19273963-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273963-01Size:10 mg
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Description
Ceftezole (GR69153) is a broad-spectrum cephalosporin antibiotic that also acts as an α-glucosidase inhibitor. It hinders bacterial cell wall synthesis by binding to penicillin-binding proteins (PBPs), resulting in cell lysis. Additionally, ceftezole exhibits antidiabetic activity in diabetic mice. It is applicable in research related to antibacterial and antidiabetic studies.
CAS Number
117211-03-7
Smiles
O=C1N2[C@@] ([C@@H]1NC (/C (=N\O[C@H] (C (O) =O) C3=CC (O) =C (O) C=C3) /C4=CSC (N) =N4) =O) (SCC=C2C (O) =O) [H]
Molecular Formula
C20H17N5O9S2
Molecular Weight
535.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cefetecol anhydrous

Cefetecol anhydrous is a small molecule drug. Cefetecol anhydrous has a monoisotopic molecular weight of 535.05 Da.

CAS Number117211-03-7
PubChem CID9807169
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC20H17N5O9S2
Molecular Weight535.5
XLogP0.6
Topological Polar Surface Area279
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity995
SMILES
C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O[C@@H](C3=CC(=C(C=C3)O)O)C(=O)O)/C4=CSC(=N4)N)C(=O)O
InChI
InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12-/t13-,14+,17-/m1/s1
InChIKey
ILZCDOYRDFDUPN-XUQRFURESA-N
Chemical Structure
2D Structure
2D structure of Cefetecol anhydrous
CAS: 117211-03-7
CID: 9807169
Formula: C20H17N5O9S2
MW: 535.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight535.5
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass535.04676948
Monoisotopic Mass535.04676948
Topological Polar Surface Area279 Ų
Heavy Atom Count36
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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