Mrv1652312081619462D          

 28 27  0  0  1  0            999 V2000
   -3.6517   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9373    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -0.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7785    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6898    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9753   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2608    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9753   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1187    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6898    1.0312    0.0000 O   0  0  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  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  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
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  1  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 19 28  1  1  0  0  0
M  END
> <DATABASE_ID>
DBSALT001252

> <DATABASE_NAME>
drugbank

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1

> <INCHI_KEY>
GWHQHAUAXRMMOT-MBANBULQSA-N

> <FORMULA>
C18H28N2O8

> <MOLECULAR_WEIGHT>
400.428

> <EXACT_MASS>
400.18456587

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
28.586029643869768

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
2.4090931343333333

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.800552787893237

> <JCHEM_POLAR_SURFACE_AREA>
32.78

> <JCHEM_REFRACTIVITY>
73.3706

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L(+)-tartaric acid; exelon

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001252

> <NAME>
Rivastigmine tartrate

> <DRUG_DRUGBANK_ID>
DB00989

> <DRUG_NAME>
Rivastigmine

> <CAS_NUMBER>
129101-54-8

> <UNII>
9IY2357JPE

$$$$