Cephalothin sodium

C16H15N2NaO6S2CAS 58-71-9418.41 g/mol

Open in Covalent MOL file
OOSNHOSONO−ONa+
AlkeneAmideCarboxylic acidEsterLactamSulfide

Properties

Molecular formula
C16H15N2NaO6S2
Molar mass
418.41 g/mol
Exact mass
418.0269 Da
Melting point
204.5 °C
logP
-3.74Crippen estimate
Polar surface area
115.8 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
58-71-9
SMILES
CC(=O)OCC=1CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N2C1C([O-])=O.[Na+]
InChIKey
VUFGUVLLDPOSBC-XRZFDKQNSA-M
InChI
InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1

Weigh it out

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

Names and synonyms

28 names · show all
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-, acetate (ester), monosodium salt
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodium salt, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodium salt, (6R,7R)-
  • 38253
  • Sodium cephalothin
  • Sodium cephalotin
  • Sodium 3-acetoxymethyl-7β-(2-thienylacetamido)ceph-3-em-4-carboxylate
  • Sodium 7-(2-thienylacetamido)-3-acetoxymethyl-3-cephem-4-carboxylate
  • Sodium (thienylacetamido)cephalosporanate
  • Sodium 7-[2-(2-thienyl)acetamido]cephalosporanate
  • Keflin
  • Lilly 38253
  • Microtin
  • Cefalothine sodium
  • Cefalothin sodium
  • Cepovenin
  • Ceporacin
  • Seffin
  • Cephalothin sodium salt
  • Sodium cefalotin
  • Synclotin
  • Cephation
  • Lospoven
  • Coaxin
  • Averon 1
  • Toricelocin
  • Cemastin

Work with Cephalothin 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cephalothin153-61-7Free acid

Similar compounds

Cephapirin sodium24356-60-368 % similar Cefalonium5575-21-362 % similar 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-59143-60-157 % similar Cefotaxime sodium64485-93-455 % similar Cefoxitin sodium33564-30-653 % similar Cefuroxime sodium56238-63-248 % similar Cefathiamidine33075-00-245 % similar Cephapirin benzathine97468-37-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook