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Cefazolin sodium salt

CAT: 0127-BIC0101-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
27164-46-1
Synonyms
Cefazil sodium salt, Cefamedin sodium salt
MDL Number
MFCD00056883
Smiles
[Na+].Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)[O-])s1
Additionnal Information
Store at 2-8°C
Storage Conditions
Store at 2-8°C

Chemical Information

Cefazolin Sodium

Cefazolin sodium is a cephalosporin organic sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups. It contains a cefazolin(1-).

CAS Number27164-46-1
PubChem CID23675322
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
Molecular FormulaC14H13N8NaO4S3
Molecular Weight476.5
Topological Polar Surface Area238
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count30
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-].[Na+]
InChI
InChI=1S/C14H14N8O4S3.Na/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);/q;+1/p-1/t9-,12-;/m1./s1
InChIKey
FLKYBGKDCCEQQM-WYUVZMMLSA-M
Chemical Structure
2D Structure
2D structure of Cefazolin Sodium
CAS: 27164-46-1
CID: 23675322
Formula: C14H13N8NaO4S3
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass476.01195873
Monoisotopic Mass476.01195873
Topological Polar Surface Area238 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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CatalogName
C4183-250Cefazolin (sodium salt)
C9680Cefazolin Sodium Salt
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