Marvin  05071016182D          

 26 27  0  0  1  0            999 V2000
    7.4378   -4.3835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4378   -5.2085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1524   -5.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -5.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -4.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1524   -3.9710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6128   -4.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6128   -5.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8983   -3.9710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837   -4.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837   -5.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8983   -5.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4692   -3.9710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5813   -5.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1524   -6.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279   -6.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8569   -6.8527    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7433   -4.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -3.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -4.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -5.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7433   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4692   -3.1433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4378   -3.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387   -6.8486    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 13 24  1  1  0  0  0
  1 25  1  6  0  0  0
M  CHG  2  17  -1  26   1
M  END
> <ID>
CHEBI:59390

> <NAME>
cephalexin sodium

> <DEFINITION>
The sodium salt of cephalexin.

> <STAR>
3

> <SYNONYM>
cefalexin sodium

> <IUPAC_NAME>
sodium 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylate; sodium (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

> <FORMULA>
C16H16N3NaO4S

> <MASS>
369.37100

> <MONOISOTOPIC_MASS>
369.07592

> <CHARGE>
0

> <SMILES>
[Na+].[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O

> <INCHI>
InChI=1S/C16H17N3O4S.Na/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);/q;+1/p-1/t10-,11-,15-;/m1./s1

> <INCHIKEY>
NZDYPHVJLWMLJI-CYJZLJNKSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
8376600

> <DRUGBANK_ACCESSION>
DB00567

$$$$