Mrv1652309201717592D          

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M  END
> <DATABASE_ID>
DB00950

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)

> <INCHI_KEY>
RWTNPBWLLIMQHL-UHFFFAOYSA-N

> <FORMULA>
C32H39NO4

> <MOLECULAR_WEIGHT>
501.6564

> <EXACT_MASS>
501.287908741

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
57.42211230747313

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

> <ALOGPS_LOGP>
5.02

> <JCHEM_LOGP>
2.9385009869991623

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.19564234596055

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.04043821405387

> <JCHEM_PKA_STRONGEST_BASIC>
9.010501448307204

> <JCHEM_POLAR_SURFACE_AREA>
80.99999999999999

> <JCHEM_REFRACTIVITY>
147.98460000000009

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.66e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fexofenadine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00950

> <SECONDARY_ACCESSION_NUMBERS>
APRD00349

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Fexofenadine

> <SYNONYMS>
4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid; Carboxyterfenadine; Fexofenadina; Fexofenadine; Terfenadine acid metabolite; Terfenadine carboxylate; Terfenadine-COOH

> <PRODUCTS>
12HR Allergy Relief; 12HR Allergy and Congestion Relief; 12hr Allergy and Congestion Relief; 24 Hour Allergy; 24HR Allergy Relief; 7 Select Allergy Relief; Allegra; Allegra 12 Hour; Allegra 24 Hour; Allegra Allergy; Allegra D 12 Hour Allergy and Congestion; Allegra D-12 Hour; Allegra Hives; Allegra Hives 24hr; Allegra--D 24 Hour; Allegra-D; Allegra-D 24 Hour; Allegra-D Allergy and Congestion; Aller Ease; Allergillic; Allergy; Allergy 24-HR; Allergy Relief; Allergy Relief Non Drowsy; Allergy Relief children; Allergy Relief non drowsy; Allergy Relief non-drowsy; Allergy and Congestion; Allergy relief; Basic Care Allergy; Berkley Jensen Allergy Relief; Berkley and Jensen Allergy Relief; Care One Aller Ease; CareOne Allergy Relief; Careone Allergy Relief; Children Allergy; Childrens Allegra Allergy; Childrens Aller-Ease Fexofenadine Hydrochloride; Childrens Allergy; Childrens Allergy Fexofenadine Hydrochloride; Childrens Allergy Relief; Childrens Fexofenadine Hydrochloride Allergy; Childrens Fexofenadine Hydrochloride HIVES; Childrens Wal-Fex; Crcle Fexofenadine Hydrochloride; Curist Allergy Relief; Curist Hives Relief; Dg Health Aller Ease; Dye Free Wal Fex childrens allergy; Equaline Aller Ease; Equate Allergy Relief; Exchange Select Aller Ease; Exchange Select Allergy Relief; FEXOFENADINE HCl; FEXOFENADINE HCl AND PSEUDOEPHEDRINE HCl; FEXOFENADINE HYDROCHLORIDE and PSEUDOEPHEDRINE HYDROCHLORIDE; Fex-Allergy Relief; Fexo Fenadine; Fexofenadine; Fexofenadine HCL; Fexofenadine HCl; Fexofenadine HCl and Pseudoephedrine HCI; Fexofenadine HCl and Pseudoephedrine HCl; Fexofenadine HCl and Pseudoephedrine HCl 24 Hour; Fexofenadine Hydrochloride; Fexofenadine Hydrochloride 180; Fexofenadine Hydrochloride and Pseudoephedrine Hydrochloride; Fexofenadine hydrochloride; Fexofenodine Hydrochloride; Good Neighbor Pharmacy Allergy Relief; Good Sense Aller Ease; Harris Teeter Allergy Relief; Health Mart Allergy Relief; Health Mart Fexofenadine Hydrochloride; Health Mart fexofenadine hydrochloride; Healthy Accents Aller Ease 24 Hour; Healthy Accents Allergy Relief; IAllergy Relief; Indoor Outdoor Allergy Relief; Kirkland Signature Aller Fex; Leader Aller Ease; Leader Allergy Relief; Members Mark Fexofenadine; Mucinex Allergy; Picnic Antihistamine; Preferred Plus Aller Ease; Preferred Plus Allergy Relief; Rugby Fexofenadine Hydrochloride; ShopRite Aller Ease; Signature Care Allergy Relief; Smart Sense Allergy Relief; Sound Body Allergy Relief; Sunmark Fexofenadine Hydrochloride; Sunmark fexofenadine hydrochloride; Topcare Allergy Relief; Topcare Fexofenadine Hydrochloride; Topcare fexofenadine hydrochloride; Up and Up Allergy Relief; Up and Up Non Drowsy Allergy Relief; Wal Fex; Wal Fex 24 Hour Allergy; Wal Fex Allergy; Wal fex Allergy; Wal-Fex

> <INTERNATIONAL_BRANDS>
Fastofen; Fexidine; Telfast; Vifas

> <SALTS>
Fexofenadine hydrochloride

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