Back to Search
Cephalexin
CAS: 15686-71-2 | C16H17N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15686-71-2
Molecular Formula:
C16H17N3O4S
Molecular Mass:
347.40 g/mol
Names and Synonyms:
Cephalexin
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
Cephalexin
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
Identifiers:
SMILES:
CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1
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
Key Properties
Melting Point
160-168 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.40 g/mol | CAS Common Chemistry |
| 347.3960000000001 g/mol | RDKit | |
| 347.0939770240001 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=C(C)CSC2N1C(=O)C2NC(=O)C(N)C=3C=CC=CC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAIPMKNFIOOWCQ-UEKVPHQBSA-N | CAS Common Chemistry |
| Melting Point | 160-168 °C (decomp) | CAS Common Chemistry |
| Name | Cephalexin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 116.22 Ų | RDKit |
| LogP | 1.2852000000000003 | RDKit |
| Molar Refractivity | 90.65000000000005 | RDKit |
