chempirical

Cefadroxil

C16H17N3O5SCAS 50370-12-2363.39 g/mol

Open in Covalent MOL file
OHONONHONH2OHS
AlkeneAmideCarboxylic acidLactamPhenolPrimary amineSulfide

Properties

Molecular formula
C16H17N3O5S
Molar mass
363.39 g/mol
Exact mass
363.0889 Da
logP
0.99Crippen estimate
Polar surface area
136.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
50370-12-2
SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
InChIKey
BOEGTKLJZSQCCD-UEKVPHQBSA-N
InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • BL-S 578
  • Oracefal
  • Bidocef
  • S 578
  • Cephadroxil
  • D-Cefadroxil
  • Ultracef
  • Roxil
  • Cefadur
  • Cipadur
  • Evacef
  • Neucef
  • Helicef
  • Sumacef
  • Cefadrox
  • Ibidroxil

Work with Cefadroxil

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

Cefadroxil monohydrate66592-87-895 % similar Cephalexin15686-71-283 % similar Cephalexin monohydrate23325-78-279 % similar Cefprozil92665-29-775 % similar Cefatrizine51627-14-666 % similar Cefaclor53994-73-364 % similar Cefaclor monohydrate70356-03-561 % similar Cephradine38821-53-356 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook