Responsive image

Common name


Venlafaxine

IUPAC name


1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

SMILES


COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1

Compound class


Antidepressive Agents, Second-Generation; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the management of major depressive disorder (MDD), generalized anxiety disorder (GAD), social anxiety disorder (social phobia), panic disorder with or without agoraphobia, vasomotor symptoms in women with breast cancer and in postmenopausal women, and neuropathic pain.

Common name


Venlafaxine

IUPAC name


1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

SMILES


COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1

INCHI


InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3

FORMULA


C17H27NO2

Responsive image

Common name


Venlafaxine

IUPAC name


1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

Molecular weight


277.402

clogP


3.186

clogS


-3.563

HBond Acceptor


3

HBond Donor


1

Total Polar
Surface Area


32.7

Number of Rings


2

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00064 N,N-dimethylmethanamine Responsive image N(C)(C)C 0.0371
FDBF00141 ethylbenzene Responsive image c1(ccccc1)CC 0.0371
FDBF00218 1-methoxy-4-methyl-benzene Responsive image O(C)c1ccc(cc1)C 0.0113
FDBF00248 cyclohexanol Responsive image C1C(CCCC1)O 0.0024
FDBF00289 N,N-dimethylethanamine Responsive image C(C)N(C)C 0.0299
FDBF00293 N,N-dimethyl-2-phenyl-ethanamine Responsive image C(Cc1ccccc1)N(C)C 0.0010
FDBF00610 1-methylcyclohexanol Responsive image CC1(CCCCC1)O 0.0007
FDBF00611 1-ethylcyclohexanol Responsive image CCC1(CCCCC1)O 0.0007
FDBF00612 1-(2-dimethylaminoethyl)cyclohexanol Responsive image C(CC1(CCCCC1)O)N(C)C 0.0007
14 , 2