Mrv1718011041807182D          

 28 27  0  0  0  0            999 V2000
   -3.6652   -0.3044    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3119    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968    1.3675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845    0.9422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9549    0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948    1.3385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3901    0.0772    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8293   -1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6798   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    0.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457    0.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5251   -1.0003    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6547   -0.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -2.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363   -1.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9549    0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045   -1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616    1.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    2.2228    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948    2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3901   -1.0873    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 11  1  2  0  0  0  0
 12 22  2  0  0  0  0
 13  2  2  0  0  0  0
  4 14  1  6  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19  5  2  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 10  1  0  0  0  0
 25  6  1  0  0  0  0
 26  6  1  0  0  0  0
  7 27  1  1  0  0  0
 12 21  1  0  0  0  0
M  CHG  4   1   1   8  -1  15  -1  28   1
M  END
> <DATABASE_ID>
DBSALT001357

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].O[C@@H]([C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1

> <INCHI_KEY>
RPLOPBHEZLFENN-HTMVYDOJSA-M

> <FORMULA>
C15H15Cl2N2NaO8

> <MOLECULAR_WEIGHT>
445.18

> <EXACT_MASS>
444.0103151

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
37.26019264778103

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium 4-[(2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

> <ALOGPS_LOGP>
1.63

> <JCHEM_LOGP>
1.1446916453333338

> <ALOGPS_LOGS>
-3.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.872170990423275

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.646391221962107

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4207816143518306

> <JCHEM_POLAR_SURFACE_AREA>
158.89999999999998

> <JCHEM_REFRACTIVITY>
103.07840000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium 4-[(2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001357

> <NAME>
Chloramphenicol sodium succinate

> <DRUG_DRUGBANK_ID>
DB07565

> <DRUG_NAME>
Chloramphenicol succinate

> <CAS_NUMBER>
982-57-0

> <UNII>
872109HX6B

$$$$