1114
  Mrv0541 02231215152D          

 19 20  0  0  1  0            999 V2000
    3.7935   -2.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.6500    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
    3.0791    0.8250    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
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.8250    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
    1.6500    1.6500    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
    4.5080   -1.6500    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    0.8250    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
    5.9370    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB01114

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Chlorpheniramine

> <SYNONYMS>
Chloropheniramine; Chlorophenylpyridamin; Chlorophenylpyridamine; Chloroprophenpyridamine; Chlorphenamine; Chlorpheniramine Maleate; Chlorprophenpyridamine; Clorfeniramina; Dexchlorpheniramine; Dexchlorpheniramine Maleate

> <BRANDS>
Aller-Chlor; Allergican; Allergisan; Antagonate; Chlo-Amine; Chlor-Trimeton; Chlor-Trimeton Allergy; Chlor-Trimeton Repetabs; Chlor-Tripolon; Chloropiril; Cloropiril; Efidac 24 Chlorpheniramine Maleate; Gen-Allerate; Haynon; Histadur; Kloromin; Mylaramine; Novo-Pheniram; Pediacare Allergy Formula; Phenetron; Piriton; Polaramine; Polaronil; Pyridamal 100; Telachlor; Teldrin

> <CHEMICAL_FORMULA>
C16H19ClN2

> <MOLECULAR_WEIGHT>
274.788

> <EXACT_MASS>
274.123676325

> <IUPAC_NAME>
[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine

> <INCHI_IDENTIFIER>
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

> <INCHI_KEY>
InChIKey=SOYKEARSMXGVTM-UHFFFAOYSA-N

> <SMILES>
CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_DONOR_COUNT>
0

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
3.58

> <ALOGPS_LOGS>
-3.7

> <JCHEM_POLARIZABILITY>
30.82

> <JCHEM_POLAR_SURFACE_AREA>
16.13

> <JCHEM_REFRACTIVITY>
80.85

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <ALOGPS_SOLUBILITY>
5.19e-02 g/l

$$$$