Compound: venlafaxine
SMILES: O(c1ccc(C(C2(O)CCCCC2)CN(C)C)cc1)C
InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
Synonyms: venlafaxine, 93413-69-5, Elafax, Venlafaxina, Trevilor, velafax, Venlafaxinum, Efectin, Venlafexine, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, Kanghong, Venlor, GRZ5RCB1QG, Efexor, NSC-758676, DTXSID6023737, CHEBI:9943, DTXCID403737, Efexor XL, Cyclohexanol, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)-, (+-)-, 1-(2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexan-1-ol, Viepax, Mentaven xl, Ranfaxine xl, Sunveniz xl, Tardcaps xl, Tonpular xl, Venlablue xl, Venladex xl, Venlalic xl, Venlaneo xl, Alventa xl, Amphero xl, Bonilux xl, Depefex xl, Foraven xl, Politid xl, Rodomel xl, Tifaxin xl, Vaxalin xl, Vexarin xl, Trixat xl, Venaxx xl, Vensir xl, Viepax xl, Winfex xl, RefChem:6347, N06AX16, 618-944-2, D,L-Venlafaxine, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol, 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol, Venlafaxine (INN), MFCD00864385, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, Venlafaxine [INN:BAN], NCGC00095109-01, Venlafaxinum [INN-Latin], Venlafaxina [INN-Spanish], VENLAFAXINE [INN], Venlafaxin, Efectin (TN), CAS-93413-69-5, (+/-)-venlafaxine, SR-01000762930, UNII-GRZ5RCB1QG, DL-Venlafaxine, CYCLOHEXANOL, 1-(2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, HSDB 6699, Spectrum_001671, SpecPlus_000842, VENLAFAXINE [MI], Spectrum2_000542, Spectrum3_000989, Spectrum4_001115, Spectrum5_001516, CHEMBL637, EC 618-944-2, VENLAFAXINE [VANDF], SCHEMBL35154, BSPBio_002657, KBioGR_001590, KBioSS_002151, VENLAFAXINE [WHO-DD], MLS006011859, DivK1c_006938, SPECTRUM1504171, SPBio_000583, GTPL7321, orb1305912, SCHEMBL6925857, BDBM82071, KBio1_001882, KBio2_002151, KBio2_004719, KBio2_007287, KBio3_001877, GLXC-08176, HMS1922F05, HMS2090F04, HMS2093A12, HMS3714K11, HMS3886K14, HMS5085M07, Pharmakon1600-01504171, 1-{2-(dimethylamino)-1-[4-(methyloxy)phenyl]ethyl}cyclohexanol, HY-B0196, Tox21_111425, CCG-39577, EBC-26413, N,N-dimethyl-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethylamine, NSC_62923, NSC758676, s5655, STK621394, AKOS005555049, Tox21_111425_1, AC-1547, DB00285, FV28676, NSC 758676, SDCCGSBI-0052740.P003, NCGC00095109-02, NCGC00095109-03, NCGC00095109-04, NCGC00095109-05, NCGC00095109-06, NCGC00095109-08, NCGC00095109-20, AS-76254, SMR002204138, WY-45655, SBI-0052740.P002, CAS_93413-69-5, CAS_99300-78-4, DB-057399, DB-226024, NS00000031, C07187, D08670, D82446, EN300-708795, AB00053751-08, AB00053751-10, AB00053751-11, AB00053751_12, AB00053751_13, F242417, Q898407, SR-01000762930-3, SR-01000762930-4, BRD-A51714012-001-02-3, BRD-A51714012-003-01-1, BRD-A51714012-003-12-8, BRD-A51714012-003-13-6, 1-[2-dimethylamino-1-(4-methoxylphenyl)ethyl]cyclohexanol, (RS)-1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol, (+/-)-1-(.ALPHA.-((DIMETHYLAMINO)METHYL)-P-METHOXYBENZYL)CYCLOHEXANOL, 540726-98-5
Theoretical properties:
molecular_formula: C17H27NO2
molecular_weight: 277.4 g/mol
exact_mass: 277.204179104 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 20
topological_polar_surface_area: 32.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: Crystals from ethyl acetate; melting point 102-104 °C; specific optical rotation: +27.6 deg (c = 1.07 in 95% ethanol) /Venlafaxine (+)form/
Descriptions:
{"pubchem": "Venlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. It has a role as an antidepressant, an analgesic, an adrenergic uptake inhibitor, a xenobiotic, a serotonin uptake inhibitor, a dopamine uptake inhibitor and an environmental contaminant. It is a member of cyclohexanols, a monomethoxybenzene, a tertiary alcohol and a tertiary amino compound.", "chebi": "A tertiary amino compound that is <em>N</em>,<em>N</em>-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.", "chembl": "VENLAFAXINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Venlafaxine, sold under the brand name Effexor among others, is an antidepressant medication of the serotonin\u2013norepinephrine reuptake inhibitor (SNRI) class. It is used to treat major depressive disorder, generalized anxiety disorder, panic disorder, and social anxiety disorder. Studies have shown that venlafaxine improves post-traumatic stress disorder (PTSD) as a recommended first-line treatment. It may also be used for chronic neuropathic pain. It is taken orally (swallowed by mouth). It is also available as the salt venlafaxine besylate (venlafaxine benzenesulfonate monohydrate) in an extended-release formulation (Venbysi XR).\nCommon side effects include loss of appetite, constipation, dry mouth, dizziness, sweating, insomnia, drowsiness and sexual problems. In some patients, sexual dysfunction may persist even after the drug is discontinued, a condition known as post-SSRI sexual dysfunction. Severe side effects include an increased risk of suicide, mania, and serotonin syndrome. Antidepressant withdrawal syndrome may occur if stopped. A meta-analysis of randomized trials in depression found an increased rate of serious adverse events, particularly sexual dysfunction and anorexia, and several non-serious adverse effects, including nervousness, asthenia, and tremor. There are concerns that use during the later part of pregnancy can harm the baby. Venlafaxine's mechanism of action is not entirely clear, but it seems to be related to the potentiation of the activity of some neurotransmitters in the brain.\n\nVenlafaxine was approved for medical use in the United States in 1993. It is available as a generic medication. In 2023, it was the 51st most commonly prescribed medication in the United States, with more than 13 million prescriptions."}