Compound Summary


  Compound Information
 CEFAZOLIN SODIUM

Compound Name:

CEFAZOLIN SODIUM

Compound CID:

23675322

Synonyms:

CEFAZOLIN SODIUM

Cefazolin sodium salt

Cefazoline sodium

27164-46-1

Ancef

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Iupac Name:

sodium;(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

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

Canonical Smiles:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+]

Isomeric Smiles:

CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+]

Molecular Weight:

476.5

Molecular Formula:

C14H13N8NaO4S3

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 CEFAZOLIN SODIUM

Molecular Weight:

476.5

Molecular Formula:

C14H13N8NaO4S3

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

12

Rotatable Bond Count:

7

Heavy Atom Count:

30

Complexity:

746

  Synonyms
 CEFAZOLIN SODIUM

  Experimental Data
 CEFAZOLIN SODIUM

  Experimental Data Visualization
 CEFAZOLIN SODIUM

  Statistics Data
 CEFAZOLIN SODIUM

  Statistics Data Visualization
 CEFAZOLIN SODIUM