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Molecule

Cefazolin Sodium

CAS: 27164-46-1 · C14H14N8NaO4S3

2D Structure

3D Structure

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Basic Information

CAS Registry Number
27164-46-1
Molecular Formula
C14H14N8NaO4S3
Molecular Mass
477.51 g/mol

Identifiers

CAS Registry Number

27164-46-1

SMILES

Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1.[Na]

InChI Key

BXZNAOVMWGRSJT-WYUVZMMLSA-N

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);/t9-,12-;/m1./s1

Names and Synonyms

  • Cefazolin Sodium Common Name
  • Liviclina Synonym
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt (1:1), (6R,7R)- Synonym
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-, monosodium salt Synonym
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, monosodium salt, (6R-trans)- Synonym
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, monosodium salt, (6R,7R)- Synonym
  • Sodium cefazolin Synonym
  • Cefazolin sodium Synonym
  • Cefazoliin Synonym
  • 3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid sodium salt Synonym
  • 3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[2-(1H-tetrazol-1-yl)-acetamido]-3-cephem-4-carboxylic acid sodium salt Synonym
  • SKF 41558 Synonym
  • Cefazolin sodium salt Synonym
  • Cefazoline sodium Synonym
  • Kefzol Synonym
  • Sodium cephazolin Synonym
  • Monosodium cafazolin Synonym
  • Ancef Synonym
  • Cefamedin Synonym
  • Cephazolin sodium Synonym
  • Cefacidal Synonym
  • Cefazorin DC Synonym
  • Biazolina Synonym
  • Zolicef Synonym
  • Firmacef Synonym
  • Bor-Cefazol Synonym
  • Totacef Synonym
  • Atirin Synonym
  • Gramaxin Synonym
  • Cefazil Synonym
  • Sodium CEZ Synonym
  • Cefazina Synonym
  • Lampocef Synonym
  • Acef Synonym
  • Cephazolin sodium salt Synonym
  • NSC 291561 Synonym
  • Reflin Synonym
  • Azolin Synonym
  • Iespor Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 477.51 g/mol CAS Common Chemistry
477.5090000000002 g/mol RDKit
477.509 g/mol RDKit
479.504 g/mol chempirical lib
Canonical SMILES [Na].O=C(O)C1=C(CSC2=NN=C(S2)C)CSC3N1C(=O)C3NC(=O)CN4N=NN=C4 CAS Common Chemistry
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);/t9-,12-;/m1./s1 CAS Common Chemistry
InChI Key InChIKey=BXZNAOVMWGRSJT-WYUVZMMLSA-N CAS Common Chemistry
Name Cefazolin sodium CAS Common Chemistry
Heavy Atom Count 30 RDKit
Hydrogen Bond Acceptors 12 RDKit
11 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 159.57999999999998 Ų RDKit
159.58 Ų RDKit
LogP -0.17657999999999996 RDKit
-0.1766 RDKit
Molar Refractivity 110.54660000000003 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.4286 RDKit
0.43 chempirical lib
Exact Mass 477.0197832080001 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 477.51 g/mol. Edit any field — others recompute live.

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