chempirical

Cephalexin

C16H17N3O4SCAS 15686-71-2347.39 g/mol

Open in Covalent MOL file
OHONONHONH2S
AlkeneAmideCarboxylic acidLactamPrimary amineSulfide

Properties

Molecular formula
C16H17N3O4S
Molar mass
347.39 g/mol
Exact mass
347.0940 Da
Melting point
160–168 °C (decomposes)
logP
1.29Crippen estimate
Polar surface area
116.2 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
15686-71-2
SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1
InChIKey
ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
InChI
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

Weigh it out

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

Names and synonyms

122 names · show all
  • 7-(α-Amino-D-phenylacetamido)-3-deacetoxycephalosporanic acid
  • 7-[D-(-)-α-Aminophenylacetamido]-3-methyl-3-cephem-4-carboxylic acid
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-, D-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2R)-2-Amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Ceporexine
  • Cefalexin
  • Keflex
  • Keforal
  • Lilly 66873
  • Larixin
  • S 6437
  • Oroxin
  • Ceporexin
  • Oracef
  • Ceforal
  • Palitrex
  • L-Keflex
  • Syncl
  • Cephacillin
  • Cephamasten
  • Lafarine
  • D-Cephalexin
  • Cepexin
  • Cephalexine
  • Ceporex
  • Cefaleksin
  • Tepaxin
  • Kefloridina
  • Sialexin
  • Novolexin
  • Medoxine
  • Kekrinal
  • Ibilex
  • Nufex
  • Ceporex forte
  • Oriphex
  • Alsporin
  • Mamlexin
  • Cophalexin
  • Sporidex
  • Inphalex
  • Ibrexin
  • Cefadina
  • Servispor
  • Kefalospes
  • Uphalexin
  • Cefadal
  • Kefalex
  • Kidolex
  • Madlexin
  • Sinthecillin
  • Celexin
  • Cefadin
  • Kefexin
  • Voxxim
  • Lopilexin
  • Syncle
  • Check
  • Winlex
  • Pyassan
  • Neokef
  • Lonflex
  • Cephaxin
  • Erocetin
  • Sanaxin
  • Cefalin
  • Sporicef
  • Keflet
  • Mamalexin
  • Cefablan
  • Ospexin
  • Carnosporin
  • Felexin
  • Sepexin
  • Septilisin
  • Rofex
  • Tokiolexin
  • Durantel DS
  • Cephin
  • Durantel
  • Ed A-ceph
  • Biocef
  • Cefovit
  • Naxifelar
  • Cefaseptin
  • Fexin
  • Cepastar
  • Alcephin
  • Cepol
  • Synecl
  • Kefaxin
  • Lenocef
  • Cefadyl
  • Pectril
  • Cerexin
  • Iwalexin
  • Llonexina
  • Cefadros
  • Cex
  • Cefaloto
  • Farexin
  • Xahl
  • Derantel
  • Sencephalin
  • Oracocin
  • Rinesal
  • Mecilex
  • Ohlexin
  • Fergon 500
  • Taicelexin
  • Lexibiotico
  • Cefanex
  • Sintolexyn
  • Efalexin
  • Garasin
  • Phexin
  • Larixin (antibiotic)
  • Vetolexin
  • Lixen-IU

Work with Cephalexin

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

Cephalexin monohydrate23325-78-295 % similar Cefadroxil50370-12-283 % similar Cefadroxil monohydrate66592-87-879 % similar Cefaclor53994-73-377 % similar Cefaclor monohydrate70356-03-573 % similar Cefprozil92665-29-762 % similar Cephradine38821-53-358 % similar Cefatrizine51627-14-655 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook