661
  Mrv0541 02231214522D          

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   10.8062    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1435    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB00661

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3

> <INCHI_KEY>
SGTNSNPWRIOYBX-UHFFFAOYSA-N

> <FORMULA>
C27H38N2O4

> <MOLECULAR_WEIGHT>
454.6016

> <EXACT_MASS>
454.283157714

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9979075901666074

> <JCHEM_AVERAGE_POLARIZABILITY>
51.69513416927456

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

> <ALOGPS_LOGP>
5.23

> <JCHEM_LOGP>
5.043185821000002

> <ALOGPS_LOGS>
-5.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.67844357225492

> <JCHEM_POLAR_SURFACE_AREA>
63.95

> <JCHEM_REFRACTIVITY>
132.6479

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.94e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00661

> <SECONDARY_ACCESSION_NUMBERS>
APRD00335

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Verapamil

> <SYNONYMS>
Iproveratril; Verapamil; Vérapamil; Verapamilo; Verapamilum

> <PRODUCTS>
Alti-verapamil - 120mg; Alti-verapamil - 80mg; Apo-verap SR; Apo-verap Tab 80mg; Apo-verap Tablet 120mg; Calan; Calan SR; Covera-HS; Dom-verapamil SR 240mg Tablets; Isoptin Inj 2.5mg/ml; Isoptin SR; Isoptin Tab 120mg; Isoptin Tab 80mg; Med Verapamil Tablets; Mylan-verapamil; Mylan-verapamil SR; Novo-veramil; Novo-veramil SR; Nu-verap SR; Nu-verap Tab 120mg; Nu-verap Tab 80mg; PHL-verapamil SR; PMS-verapamil SR; Penta-verapamil - 120mg; Penta-verapamil - 80mg; Pro-verapamil SR; Riva-verapamil SR; Tarka; Taro-verapamil Tab 120mg; Taro-verapamil Tab 80mg; Trandolapril and Verapamil Hydrochloride; Trandolapril and Verapamil Hydrochloride ER; Verapamil; Verapamil HCl; Verapamil Hci; Verapamil Hydrochloride; Verapamil Hydrochloride Injection USP; Verapamil Hydrochloride PM; Verapamil Injection 2.5mg/ml; Verapamil SR; Verapamil Tab 80mg; Verapamil hydrochloride; Verapamil-120 Tab; Verelan; Verelan PM

> <INTERNATIONAL_BRANDS>
Bosoptin; Isoptin; Verisop; Vermin; Vermine; Verogalid; Verogalid ER; Verpamil; Vertab; Vetrimil; Zolvera

> <SALTS>
Verapamil hydrochloride

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