Mrv0541 11061417442D          

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M  END
> <DATABASE_ID>
DB00736

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

> <INCHI_KEY>
SUBDBMMJDZJVOS-DEOSSOPVSA-N

> <FORMULA>
C17H19N3O3S

> <MOLECULAR_WEIGHT>
345.416

> <EXACT_MASS>
345.114712179

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.003795862616170749

> <JCHEM_AVERAGE_POLARIZABILITY>
35.81045554434655

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

> <ALOGPS_LOGP>
1.66

> <JCHEM_LOGP>
2.433509123333334

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.31481098320049

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.677577423566118

> <JCHEM_PKA_STRONGEST_BASIC>
4.772863671565965

> <JCHEM_POLAR_SURFACE_AREA>
77.10000000000001

> <JCHEM_REFRACTIVITY>
93.6623

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.53e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00736

> <SECONDARY_ACCESSION_NUMBERS>
APRD00363

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Esomeprazole

> <SYNONYMS>
(−)-omeprazole; (S)-(−)-omeprazole; (S)-omeprazole; Esomeprazol; Ésoméprazole; Esomeprazole; Esomeprazolum; Omeprazole S-form; Perprazole

> <PRODUCTS>
Acid Reducer; Anodyne Ile; Apo-esomeprazole; Basic Care Esomeprazole Magnesium; Berkley and Jensen Heartburn Treatment; Careone Esomeprazole Magnesium; DG Health Esomeprazole Magnesium; Dg Health Esomeprazole Magnesium; Equaline Esomeprazole Magnesium; Equate Esomeprazole Magnesium; Esomeprazole; Esomeprazole DR; Esomeprazole Magneisum D/r; Esomeprazole Magnesium; Esomeprazole Magnesium D/r; Esomeprazole Magnesium DR; Esomeprazole Magnesium Delayed-Release 20 mg mini; Esomeprazole Magnesium Delayed-Release Capsules, 20 mg; Esomeprazole Magnesium Dr; Esomeprazole Sodium; Esomeprazole Strontium; Esomeprazole magnesium; Esomeprazole sodium; Esomeprazole strontium; Exchange Select Esomeprazole Magnesium; Family Wellness Esomeprazole Magnesium; Foster and Thrive Acid Reducer; Genozol; Good Neighbor Pharmacy Esomeprazole Magnesium; Good Sense Esomeprazole Magnesium; Harris Teeter Acid Reducer; Health Mart Esomeprazole Magnesium; Healthy Accents Esomeprazole Magnesium; Kirkland Signature Esomeprazole Magnesium; Leader Heartburn Treatment; M-esomeprazole; Members Mark Esomeprazole Magnesium; Myl-esomeprazole; Mylan-esomeprazole; Mylan-naproxen/esomeprazole Mr; Naproxen and Esomeprazole Magnesium; Naproxen and esomeprazole magnesium; Nexium; Nexium - 20mg; Nexium - 40mg; Nexium 24HR; Nexium 24HR ClearMinis; Nexium Control; Nexium I.V.; PMS-esomeprazole Dr; PharmapureRx ESOMEP-EZS; Pmsc-esomeprazole Dr; Riva-esomeprazole Dr; Rugby Esomeprazole Magnesium; Sandoz Esomeprazole; Shoprite Esomeprazole Magnesium; Signature Care Esomeprazole Magnesium; Smart Sense Esomeprazole Magnesium; Sound Body Esomeprazole Magnesium; Sunmark Esomeprazole Magnesium; Taro-esomeprazole; Teva-esomeprazole; Topcare Esomeprazole Magnesium; Up and Up Esomeprazole Magnesium; Vimovo

> <INTERNATIONAL_BRANDS>
Alenia; Awa-Block; Axagon; Cor; Cronopep; Emanera; Emep; Emozul; ES-OD; Esmep; Eso; Esofag; Esolok; Esomarfan; Esomenta; Esomep; Esomeprazol Genfar; Esopral; Esorest; Inexium paranova; Lucen; Nexiam

> <SALTS>
Esomeprazole magnesium; Esomeprazole magnesium dihydrate; Esomeprazole magnesium trihydrate; Esomeprazole sodium; Esomeprazole strontium; Esomeprazole strontium hydrate

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