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Cefazolin sodium pentahydrate

CAT: 0931-T75300-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75300-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115850-11-8
Target
Antibiotic, Antibacterial, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Cefazolin sodium pentahydrate, a first-generation cephalosporin antibiotic, is employed in diverse bacterial infection research [1] and exhibits an anti-inflammatory effect capable of attenuating post-operative cognitive dysfunction (POCD) [2].
Smiles
[O-]C(C1=C(CSC2=NN=C(C)S2)CS[C@@]([C@@H]3NC(CN4C=NN=N4)=O)([H])N1C3=O)=O.[Na+].O.O.O.O.O
Molecular Formula
C14H23N8NaO9S3
Molecular Weight
566.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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