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Product No: AU0378

O-Desmethylvenlafaxine, >98.0%(HPLC)

Name: O-Desmethylvenlafaxine
Brand: Chempure

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CAS Number

93413-62-8

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IUPAC name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
canonical smiles	CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
inchi	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
inchi key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
molecular formula	C16H25NO2
synonyms	Desvenlafaxine 93413-62-8 O-Desmethylvenlafaxine 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Compound Description	O-desmethylvenlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. It has a role as a marine xenobiotic metabolite, a drug metabolite and an antidepressant. It is a member of cyclohexanols, a member of phenols and a tertiary amino compound. Desvenlafaxine is the 0-demetyhlated active metabolite of [venlafaxine]. Like its parent drug, desvenlafaxine is also an antidepressant belonging to the class of serotonin-norepinephrine reuptake inhibitor class. It was approved by the FDA in 2008 for the treatment of adults with major depressive disorder . MDD is a highly prevalent psychiatric disorder, with a lifetime prevalence estimate of 16% in the US alone and 12.8% in Europe. Although the exact mechanism of pathophysiology is still unknown, imbalances or deficiencies of monoamines have been heavily implicated, thus the rationale behind the use of SNRI to treat MDD. Desvenlafaxine has a very similar pharmacological, efficacy, and safety profile as [venlafaxine]. The major difference is the potential for drug interaction since venlafaxine is mainly metabolized by CYP2D6 while desvenlafaxine is conjugated by UGT; therefore, desvenlafaxine is less likely to cause drug-drug interaction when taken with medications affecting the CYP2D6 pathway. Desvenlafaxine is a Serotonin and Norepinephrine Reuptake Inhibitor. The mechanism of action of desvenlafaxine is as a Norepinephrine Uptake Inhibitor, and Serotonin Uptake Inhibitor, and Cytochrome P450 2D6 Inhibitor. Desvenlafaxine is a synthetic phenethylamine bicyclic derivative with antidepressant activity. Desvenlafaxine is a selective reuptake inhibitor of serotonin and norepinephrine due to its high binding affinities to the pre-synaptic serotonin and norepinephrine transporters. By blocking both transporters, this agent prolongs neurotransmitter activities of both serotonin and norepinephrine, thereby alleviating depressive state. A cyclohexanol and phenol derivative and metabolite of venlafaxine that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR and is used as an ANTIDEPRESSIVE AGENT. See also: Desvenlafaxine Succinate ; Desvenlafaxine Fumarate .

Computed Properties

Molecular Weight:	263.37 g/mol
XLogP3:	2.6
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	263.188529040 g/mol
Monoisotopic Mass:	263.188529040 g/mol
Topological Polar Surface Area:	43.7 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	266
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Venlafaxine

Desvenlafaxine

O-Desmethyltramadol

O-Demethyltramadol

N-Desmethylvenlafaxine

N,O-Didesmethylvenlafaxine

(R)-Venlafaxine

(S)-Venlafaxine

4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate

O-Desmethyl Tramadol-d6

4-[3-(4-Benzylpiperidin-1-yl)-2-methylpropyl]phenol

1-Benzylcyclohexan-1-ol

1-[1-(2-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

Tridesmethylvenlafaxine

4-(1-Propyl-piperidin-3-yl)-phenol

hazard signal	Warning
hazard classes and categories	Eye Irrit. 2 (95.35%)
precautionary statement codes	P264+P265, P280, P305+P351+P338, and P337+P317
hazard statements	H319 (95.35%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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About this item

IUPAC name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
canonical smiles	CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
inchi	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
inchi key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
molecular formula	C16H25NO2
synonyms	Desvenlafaxine 93413-62-8 O-Desmethylvenlafaxine 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Compound Description	O-desmethylvenlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. It has a role as a marine xenobiotic metabolite, a drug metabolite and an antidepressant. It is a member of cyclohexanols, a member of phenols and a tertiary amino compound. Desvenlafaxine is the 0-demetyhlated active metabolite of [venlafaxine]. Like its parent drug, desvenlafaxine is also an antidepressant belonging to the class of serotonin-norepinephrine reuptake inhibitor class. It was approved by the FDA in 2008 for the treatment of adults with major depressive disorder . MDD is a highly prevalent psychiatric disorder, with a lifetime prevalence estimate of 16% in the US alone and 12.8% in Europe. Although the exact mechanism of pathophysiology is still unknown, imbalances or deficiencies of monoamines have been heavily implicated, thus the rationale behind the use of SNRI to treat MDD. Desvenlafaxine has a very similar pharmacological, efficacy, and safety profile as [venlafaxine]. The major difference is the potential for drug interaction since venlafaxine is mainly metabolized by CYP2D6 while desvenlafaxine is conjugated by UGT; therefore, desvenlafaxine is less likely to cause drug-drug interaction when taken with medications affecting the CYP2D6 pathway. Desvenlafaxine is a Serotonin and Norepinephrine Reuptake Inhibitor. The mechanism of action of desvenlafaxine is as a Norepinephrine Uptake Inhibitor, and Serotonin Uptake Inhibitor, and Cytochrome P450 2D6 Inhibitor. Desvenlafaxine is a synthetic phenethylamine bicyclic derivative with antidepressant activity. Desvenlafaxine is a selective reuptake inhibitor of serotonin and norepinephrine due to its high binding affinities to the pre-synaptic serotonin and norepinephrine transporters. By blocking both transporters, this agent prolongs neurotransmitter activities of both serotonin and norepinephrine, thereby alleviating depressive state. A cyclohexanol and phenol derivative and metabolite of venlafaxine that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR and is used as an ANTIDEPRESSIVE AGENT. See also: Desvenlafaxine Succinate ; Desvenlafaxine Fumarate .

Computed Properties

Molecular Weight:	263.37 g/mol
XLogP3:	2.6
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	263.188529040 g/mol
Monoisotopic Mass:	263.188529040 g/mol
Topological Polar Surface Area:	43.7 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	266
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Venlafaxine

Desvenlafaxine

O-Desmethyltramadol

O-Demethyltramadol

N-Desmethylvenlafaxine

N,O-Didesmethylvenlafaxine

(R)-Venlafaxine

(S)-Venlafaxine

4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate

O-Desmethyl Tramadol-d6

4-[3-(4-Benzylpiperidin-1-yl)-2-methylpropyl]phenol

1-Benzylcyclohexan-1-ol

1-[1-(2-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

Tridesmethylvenlafaxine

4-(1-Propyl-piperidin-3-yl)-phenol

hazard signal	Warning
hazard classes and categories	Eye Irrit. 2 (95.35%)
precautionary statement codes	P264+P265, P280, P305+P351+P338, and P337+P317
hazard statements	H319 (95.35%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Product No: AU0378

O-Desmethylvenlafaxine, >98.0%(HPLC)

Product No: AU0378

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AU0378

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?