Mrv1902 04091919532D          

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M  END
> <DATABASE_ID>
DB01142

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3

> <INCHI_KEY>
ODQWQRRAPPTVAG-UHFFFAOYSA-N

> <FORMULA>
C19H21NO

> <MOLECULAR_WEIGHT>
279.3761

> <EXACT_MASS>
279.162314299

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
32.47137124857041

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dimethyl(3-{9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine

> <ALOGPS_LOGP>
4.08

> <JCHEM_LOGP>
3.8399740746666673

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.760738298749509

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
98.24480000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(3R)-1-[7-(4-hydroxybut-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]acetamide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01142

> <SECONDARY_ACCESSION_NUMBERS>
APRD00398

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Doxepin

> <SYNONYMS>
Doxepin; Doxepina; Doxepinum

> <PRODUCTS>
Alti-doxepin - Cap 10mg; Alti-doxepin-cap 25mg; Alti-doxepin-cap 50mg; Alti-doxepin-cap 75mg; Doxepin; Doxepin HCL; Doxepin HCl; Doxepin Hydrochloride; Doxepin hydrochloride; Doxepine-10 - Cap; Doxepine-100 - Cap; Doxepine-150 - Cap; Doxepine-25 -cap; Doxepine-50 - Cap; Doxepine-75 - Cap; Novo-doxepin; Ntp-doxepin; Prudoxin; Rho-doxepin - Cap 25mg; Rho-doxepin - Cap 50mg; Rho-doxepin-10 Mg Cap; Silenor; Sinequan; Sinequan Cap 150mg; Triadapin Cap 100mg; Triadapin Cap 10mg; Triadapin Cap 25mg; Triadapin Cap 50mg; Triadapin Cap 75mg; Zonalon; Zonalon Cream 5%

> <INTERNATIONAL_BRANDS>
Adapin; Aponal; Doxepine; Quitaxon

> <SALTS>
Doxepin hydrochloride

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