Mrv1652306131722032D          

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    5.7504   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  7 12  1  0  0  0  0
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M  END
> <DATABASE_ID>
DB09555

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1

> <INCHI_KEY>
DBAKFASWICGISY-DASCVMRKSA-N

> <FORMULA>
C20H23ClN2O4

> <MOLECULAR_WEIGHT>
390.86

> <EXACT_MASS>
390.1346349

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
30.810200955852793

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z)-but-2-enedioic acid; [(3S)-3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
3.5849509150000003

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.474711663883962

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
80.8503

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-chlorpheniramine; maleic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09555

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dexchlorpheniramine maleate

> <SYNONYMS>
Dexchlorpheniramine maleate

> <PRODUCTS>
Abanatuss Ped; Abanatuss Ped Drops; Abatuss Dmx; Chlophedianol Hydrochloride, Dexchlorpheniramine Maleate, and Pseudoephedrine Hydrochloride; Corzall PE; DELTUSS DMX Cough Suppressant Nasal Decongestant Antihistamine GRAPE Flavor; DELTUSS DP Nasal Decongestant Antihistamine CHERRY Flavor; Dexchlorpheniramine Maleate; Dexchlorpheniramine Maleate, Phenylephrine HCl; Dexphen w/ Codeine; Panatuss PED; Polaramine Repetabs 6mg; Polaramine Tab 2mg; Polmon; Polytussin DM; Pro-red Ac; Re Drylex; Rescon; Rescon JR; Rescon Jr; Rescon MX; Ryclora; Rymed; Vanacof; WesTussin DM

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