737
  Mrv0541 02231214582D          

 28 31  0  0  1  0            999 V2000
    1.6500   -3.3001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 26  1  0  0  0  0
 19 24  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00737

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3

> <INCHI_KEY>
OCJYIGYOJCODJL-UHFFFAOYSA-N

> <FORMULA>
C25H27ClN2

> <MOLECULAR_WEIGHT>
390.948

> <EXACT_MASS>
390.186276581

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.836445794110696

> <JCHEM_AVERAGE_POLARIZABILITY>
44.8695330725989

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine

> <ALOGPS_LOGP>
5.59

> <JCHEM_LOGP>
6.387941532333333

> <ALOGPS_LOGS>
-5.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.708759825585673

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
119.39220000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00737

> <SECONDARY_ACCESSION_NUMBERS>
APRD00354

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Meclizine

> <SYNONYMS>
Meclizine; Meclozina; Meclozine

> <PRODUCTS>
Antivert; Antivert Tab; Bonamine; Bonamine Tab 25mg Chewable; Bonine; Bonine Max; CVS Motion Sickness Fast Melting; CVS Motion Sickness Strips; Diphen; Dramamine; Dramamine - N; Dramamine Less Drowsy; Dramamine Less Drowsy Formula; Jet-Avert Motion Sickness Aid; Less Drowsy Formula Motion Sickness Relief; Less Drowsy Motion Sickness Relief; Meclinzine Hydorchloride; Meclizine; Meclizine 25; Meclizine HCL; Meclizine HCL 12.5 mg; Meclizine HCL 25 mg; Meclizine HCl; Meclizine HCl 25 mg; Meclizine Hydrochloride; Meclizine Hydrocloride; Meclizine hydrochloride; Medique Medi-Meclizine; Motion Relief - Less Drowsy Formula; Motion Sickness; Motion Sickness All Day Less Drowsy; Motion Sickness II; Motion Sickness Less Drowsy; Motion Sickness Less Drowsy Formula; Motion Sickness Relief; Motion Sickness Relief Less Drowsy; Motion sickness; Motion sickness Relief; Motion sickness less drowsy formula; Motion-Time Chewable; Naus-ease; Nausea Relief; Novominsyrup; PhysiciansCare Motion Sickness; RUGBY Meclizine HCl, 12.5 mg Each Antiemetic; Rugby; Rugby Meclizine HCl; Rugby Meclizine HCl, 12.5 mg Each Antiemetic; Rugby Travel Sickness; Rugby Travel Sickness Meclizine HCl 25 mg Each (Antiemetic); Rugby Travel Sickness Meclizine HCl, 25 mg Each (ANTIEMETIC); Rugby Travel Sickness Meclizine HCl, 25 mg Each (Antiemetic); Rugby Travel SicknessMeclizine HCl, 25 mg Each (ANTIEMETIC); RugbyMeclizine HCl, 12.5 mg Each ANTIEMETIC Meclizine HCl, 12.5 mg Each ANTIEMETIC; Sea-calm; Trav-L-tabs; Travel Ease; Travel Sickness Meclizine HCl; Travel Time; Travel-Ease; Verticalm; Wal Dram; Wal-Dram 2 Quick-Dissolving; Welly Travel Medicine Kit; ZenTrip Motion Sickness; Zentrip

> <INTERNATIONAL_BRANDS>
Chiclida; Meclicot; Navicalm; Nevidoxine; Postafen; Sea-Legs

> <SALTS>
Meclizine hydrochloride

$$$$