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Cefazolin (sodium pentahydrate)

CAT: 0804-HY-B0756Size: 1 EachDry Ice: NoHazardous: No
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Description
Cefazolin sodium pentahydrate is a first-generation cephalosporin antibiotic and can be used in varieties of bacterial infections research[1]. Cefazolin sodium pentahydrate has anti-inflammatory effect and can attenuate post-operative cognitive dysfunction (POCD) [2].
CAS Number
115850-11-8
Product Name Alternative
Cephazolin (sodium pentahydrate)
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology; Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/cefazolin-sodium-pentahydrate.html
Solubility
10 mM in DMSO
Smiles
O=C(C(N12)=C(CSC3=NN=C(C)S3)CS[C@]2([H])[C@H](NC(CN4N=NN=C4)=O)C1=O)O[Na].O.O.O.O.O
Molecular Formula
C14H23N8NaO9S3
Molecular Weight
566.57
References & Citations
[1]R Quintiliani, et al. Cefazolin. Ann Intern Med. 1978 Nov;89 (5 Pt 1) :650-6.|[2]Peng Liang, et al. Perioperative use of cefazolin ameliorates postoperative cognitive dysfunction but induces gut inflammation in mice. J Neuroinflammation. 2018 Aug 22;15 (1) :235.|[3]Barbara Żyżyńska-Granica, et al. The anti-inflammatory potential of cefazolin as common gamma chain cytokine inhibitor. Sci Rep. 2020 Feb 19;10 (1) :2886.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam

Chemical Information

Cefazolin Sodium Hydrate

Cefazolin sodium hydrate is a cephalosporin.

CAS Number115850-11-8
PubChem CID23678598
IUPAC Namesodium;(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrate
Molecular FormulaC14H23N8NaO9S3
Molecular Weight566.6
Topological Polar Surface Area243
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity746
SMILES
CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].O.O.O.O.O.[Na+]
InChI
InChI=1S/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/q;+1;;;;;/p-1/t9-,12-;;;;;;/m1....../s1
InChIKey
KHQJKXHCWOHDQD-HGUWTHONSA-M
Chemical Structure
2D Structure
2D structure of Cefazolin Sodium Hydrate
CAS: 115850-11-8
CID: 23678598
Formula: C14H23N8NaO9S3
MW: 566.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Exact Mass566.06478214
Monoisotopic Mass566.06478214
Topological Polar Surface Area243 Ų
Heavy Atom Count35
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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