
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

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 |
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c1ccccc1 | 0.2824 |
FDBF00064 | N,N-dimethylmethanamine |
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N(C)(C)C | 0.0371 |
FDBF00141 | ethylbenzene |
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c1(ccccc1)CC | 0.0371 |
FDBF00218 | 1-methoxy-4-methyl-benzene |
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O(C)c1ccc(cc1)C | 0.0113 |
FDBF00248 | cyclohexanol |
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C1C(CCCC1)O | 0.0024 |
FDBF00289 | N,N-dimethylethanamine |
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C(C)N(C)C | 0.0299 |
FDBF00293 | N,N-dimethyl-2-phenyl-ethanamine |
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C(Cc1ccccc1)N(C)C | 0.0010 |
FDBF00610 | 1-methylcyclohexanol |
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CC1(CCCCC1)O | 0.0007 |
FDBF00611 | 1-ethylcyclohexanol |
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CCC1(CCCCC1)O | 0.0007 |
FDBF00612 | 1-(2-dimethylaminoethyl)cyclohexanol |
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C(CC1(CCCCC1)O)N(C)C | 0.0007 |