chempirical

Cefazolin sodium

C14H13N8NaO4S3CAS 27164-46-1476.48 g/mol

Open in Covalent MOL file
NNSSNHONNNNONO−OSNa+
AlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C14H13N8NaO4S3
Molar mass
476.48 g/mol
Exact mass
476.0120 Da
logP
-0.18Crippen estimate
Polar surface area
159.6 Ų
H-bond donors / acceptors
2 / 11
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
27164-46-1
SMILES
Cc1nnc(SCC=2CS[C@@H]3[C@H](NC(=O)Cn4cnnn4)C(=O)N3C2C([O-])=O)s1.[Na+]
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

37 names · show all
  • 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)-
  • 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
  • 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)-
  • 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)-
  • Sodium cefazolin
  • Cefazoliin
  • 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
  • 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
  • SKF 41558
  • Cefazolin sodium salt
  • Cefazoline sodium
  • Kefzol
  • Sodium cephazolin
  • Monosodium cafazolin
  • Ancef
  • Cefamedin
  • Cephazolin sodium
  • Cefacidal
  • Cefazorin DC
  • Biazolina
  • Zolicef
  • Firmacef
  • Bor-cefazol
  • Totacef
  • Atirin
  • Gramaxin
  • Cefazil
  • Sodium CEZ
  • Cefazina
  • Lampocef
  • Acef
  • Liviclina
  • Cephazolin sodium salt
  • NSC 291561
  • Reflin
  • Azolin
  • Iespor

Work with Cefazolin sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ceftezole sodium41136-22-578 % similar Cefazolin25953-19-958 % similar Cefamandole sodium30034-03-846 % similar Cephapirin sodium24356-60-345 % similar Cefamandole nafate42540-40-944 % similar (6R,7R)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid30246-33-444 % similar Cefonicid sodium61270-78-844 % similar Ceftezole26973-24-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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