5282443
  Mrv0541 02231214402D          

 21 23  0  0  0  0            999 V2000
    2.9558    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8137    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8137   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8137    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8137   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993   -2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00427

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+

> <INCHI_KEY>
CBEQULMOCCWAQT-WOJGMQOQSA-N

> <FORMULA>
C19H22N2

> <MOLECULAR_WEIGHT>
278.3914

> <EXACT_MASS>
278.178298714

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9774849189391288

> <JCHEM_AVERAGE_POLARIZABILITY>
33.061056856358945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine

> <ALOGPS_LOGP>
4.14

> <JCHEM_LOGP>
4.045153588666668

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.635286307414153

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
98.5253

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00427

> <SECONDARY_ACCESSION_NUMBERS>
APRD00306

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Triprolidine

> <SYNONYMS>
(E)-2-[3-(1-pyrrolidinyl)-1-p-toluenepropenyl]pyridine; trans-1-(2-pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene; trans-1-(4-methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene; Tripolidina; Triprolidin; Triprolidina; Triprolidine; Triprolidinum

> <PRODUCTS>
Actifed DM Syrup; Actifed DM Tablets; Actifed Plus Caplet; Actifed Plus Caplets; Actifed Syrup; Actifed Tablets; Allerdine; Aprodine; CVS Maximum Strength Severe Congestion and Cough Overnight Cold and Flu Clear and cool; CVS Mucus Relief DM and Overnight Cold and Flu; CVS Nighttime Cold and Flu; CVS Overnight Cold and Flu Clear and Cool; Childrens PediaClear Allergy; Childrens PediaClear PD; Coactifed; Colcol Co Tab.; Cold and Allergy D; Cold and Flu Daytime Nighttime; Cold and Flu Nighttime; Coldifed Syrup; Cotrifed; Covan Syrup; Delsym Nighttime Cough; Dr Manzanilla DM; Dr Manzanilla Infant; Dr Manzanilla PE; Dr Manzanilla Pediatric; Ed-A-hist Pse; Endal; FLONASE Nighttime Allergy Relief; HISTEX PD Drops; HISTEX PDX Drops; Hist-PSE; Histex; Histex Ac; Histex-DM; Histex-PE; M-Hist PD; MUCINEX FAST MAX Liquid Cold and Flu Kickstart and MUCINEX Nightshift Kickstart; Maxi-Tuss TR; Maxifed TR; Maximum Strength Mucinex Fast-Max Cold and Flu and Mucinex NightShift Severe Cold and Flu; Maximum Strength Mucinex Sinus-Max Severe Congestion and Pain and Mucinex Nightshift Sinus; Meijer Nighttime Cold and Flu; Miclara DM; Miclara LQ; Mucinex Childrens FreeFrom Multi-Symptom Cold and Flu Nighttime; Mucinex Childrens FreeFrom Multi-Symptom Cold, Flu and Sore Throat and Mucinex Childrens FreeFrom Multi-Symptom Cold and Flu Nighttime; Mucinex Fast-Max Cold and Flu Arctic Burst and Nightshift Severe Cold and Flu Arctic Burst; Mucinex Fast-Max Cold and Flu and Mucinex NightShift Cold and Flu; Mucinex Fast-Max Cold, Flu and Sore Throat and Mucinex NightShift Cold and Flu; Mucinex Fast-Max DM Max and Mucinex Nightshift Cold and Flu; Mucinex Fast-Max Day Cold and Flu and Mucinex Nightshift Night Severe Cold and Flu Maximum Strength; Mucinex Fast-Max Day Severe Congestion and Cough and Mucinex Nightshift Night Cold and Flu Maximum Strength; Mucinex Fast-Max Severe Congestion and Cough Clear and Cool and Maximum Strength Mucinex Nightshift Cold and Flu Clear and Cool; Mucinex Fast-Max Severe Congestion and Cough and Mucinex Nightshift Cold and Flu; Mucinex FreeFrom Cold and Flu Daytime and Mucinex FreeFrom Cold and Flu Nighttime; Mucinex FreeFrom Cold and Flu Nighttime; Mucinex Night Time Severe Cold and Flu; Mucinex Nightshift Cold and Flu; Mucinex Nightshift Cold and Flu Clear and Cool; Mucinex Nightshift Cold and Flu Maximum Strength; Mucinex Nightshift Severe Cold and Flu; Mucinex Nightshift Severe Cold and Flu Arctic Burst; Mucinex Nightshift Severe Cold and Flu Maximum Strength; Mucinex Nightshift Sinus; Mucinex Nightshift Sinus Clear and Cool; Mucinex Nightshift Sinus Maximum Strength; Mucinex Sinus-Max Day Pressure, Pain and Cough and Mucinex Nightshift Night Sinus Maximum Strength; Mucinex-Sinus Max Severe Congestion and Pain Clear and Cool and Mucinex Nightshift Sinus Clear and Cool; Mucus DM Fast Max Day Cold and Flu and Night Cold and Flu; Mucus Relief DM and Overnight Cold and Flu; Overnight Cold and Flu; Pediatex TD; Pediatex TDM; Poly Hist NC; Pseudodine C; Severe Congestion and Cough, Cold and Flu Daytime, Nighttime; Severe Congestion, Cough, Cold and Flu Relief Maximum Strength, Nighttime; Silafed; Stahist Tp; Target Maximum Strength Cold Flu and Sore Throat Overnight Cold and Flu; Target Overnight Cold and Flu; Teva-cotridin; Teva-cotridin Expectorant; Triacin-C; Trip-pse; Tripohist; Tripohist D; Triponel; Triprofed Tab; Triprolidine HCl Drops; Triprolidine HCl PSE HCl; Triprolidine Hydrochloride; VanaClear PD; Vanahist Pd; Wal-Act; Whituben

> <INTERNATIONAL_BRANDS>
Anmin; Venen

> <SALTS>
Triprolidine hydrochloride; Triprolidine hydrochloride monohydrate

$$$$