Mrv1652312081619462D          

 19 19  0  0  1  0            999 V2000
   -1.6134    1.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8989    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8989    0.6786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2315    0.1937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4864   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3510    0.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5532    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9732    0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3857   -0.6463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800   -0.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  CHG  2  16   1  19  -1
M  END
> <DATABASE_ID>
DBSALT001181

> <DATABASE_NAME>
drugbank

> <SMILES>
O[N+]([O-])=O.CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1

> <INCHI_KEY>
PRZXEPJJHQYOGF-GNAZCLTHSA-N

> <FORMULA>
C11H17N3O5

> <MOLECULAR_WEIGHT>
271.273

> <EXACT_MASS>
271.116820659

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
22.30525708728831

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one; nitric acid

> <ALOGPS_LOGP>
1.15

> <JCHEM_LOGP>
0.949751419333334

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.608666134549649

> <JCHEM_POLAR_SURFACE_AREA>
44.12

> <JCHEM_REFRACTIVITY>
56.5342

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nitric acid; pilocarpine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001181

> <NAME>
Pilocarpine nitrate

> <DRUG_DRUGBANK_ID>
DB01085

> <DRUG_NAME>
Pilocarpine

> <CAS_NUMBER>
148-72-1

> <UNII>
M20T465H6J

$$$$