chempirical

Cefadroxil monohydrate

C16H19N3O6SCAS 66592-87-8381.40 g/mol

Open in Covalent MOL file
OHONONHONH2OHSH2O
AlkeneAmideCarboxylic acidLactamPhenolPrimary amineSulfide

Properties

Molecular formula
C16H19N3O6S
Molar mass
381.40 g/mol
Exact mass
381.0995 Da
Melting point
197 °C (decomposes)
logP
0.17Crippen estimate
Polar surface area
167.9 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
66592-87-8
SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1.O
InChIKey
NBFNMSULHIODTC-CYJZLJNKSA-N
InChI
InChI=1S/C16H17N3O5S.H2O/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);1H2/t10-,11-,15-;/m1./s1

Weigh it out

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

Names and synonyms

4 names
  • 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-, hydrate (1:1), (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-, monohydrate, [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-, monohydrate, (6R,7R)-
  • Duricef

Work with Cefadroxil monohydrate

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

Cefadroxil50370-12-295 % similar Cephalexin monohydrate23325-78-284 % similar Cephalexin15686-71-279 % similar Cefprozil92665-29-772 % similar Cefaclor monohydrate70356-03-565 % similar Cefatrizine51627-14-663 % similar Cefaclor53994-73-361 % similar Cephradine38821-53-354 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook