Mrv1572012261518532D          

 18 18  0  0  1  0            999 V2000
   -0.2975    4.1540    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.4101   -0.3498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930   -1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    0.1721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4379    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    1.8423    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0439    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -0.0114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    0.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    1.3279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    2.5086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969    2.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484    2.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    3.3313    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2   1   1  18  -1
M  END
> <DATABASE_ID>
DBSALT001486

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1

> <INCHI_KEY>
RTCIKUMODPANKX-JBUOLDKXSA-M

> <FORMULA>
C7H10N3NaO6S

> <MOLECULAR_WEIGHT>
287.22

> <EXACT_MASS>
287.01880051

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.848629110317507

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium (2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-3.606539514926804

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.051078181429066

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.984601279080552

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9098115894157215

> <JCHEM_POLAR_SURFACE_AREA>
133.07

> <JCHEM_REFRACTIVITY>
51.3617

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium (2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001486

> <NAME>
Avibactam sodium

> <DRUG_DRUGBANK_ID>
DB09060

> <DRUG_NAME>
Avibactam

> <CAS_NUMBER>
1192491-61-4

> <UNII>
9V824P8TAI

$$$$