O-Desmethylvenlafaxine

Description

O-Desmethylvenlafaxine · CAS 93413-62-8 · C16H25NO2. UNII NG99554ANW. Collision Cross Section: 166.9 Ų [M+H]+.

Identification

CAS Registry Number	93413-62-8
PubChem CID	125017
Molecular formula	C16H25NO2
IUPAC name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
UNII (FDA)	NG99554ANW

Computed Descriptors

Molecular Weight	263.37
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	263.188529040
Monoisotopic Mass	263.188529040
Topological Polar Surface Area	43.7
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	166.9 Ų [M+H]+

Physical description & handling notes

• Solid
• 166.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Antidepressants]
• 163.78 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 155.93 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 163.26 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 166.7 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Regulatory Status

GHS notification summary	4.3% (2 / 46)

GHS Hazard Classification

GHS notification summary	4.3% (2 / 46)
Reported hazard statements	H319 (91.3%)

Documented Uses

• Pharmaceuticals -> Nervous System -> Psycholeptics -> Antidepressants -> Transformation products
• Desvenlafaxine is indicated for the treatment of major depressive disorder in adults. It has also been used off-label to treat hot flashes in menopausal women.
• Desvenlafaxine is an antidepressant that is an FDA-approved drug to treat major depressive disorder in adults. For healthy women who have contraindications to estrogen, clinicians can use desvenlafaxine off-label to treat hot flashes during menopause.
• Breast Feeding; Lactation; Milk, Human; Antidepressive Agents; Serotonin-Norepinephrine Reuptake Inhibitors
• O-Desvenlafaxine has known transformation products that include N,O-Didesvenlafaxine.
• O-Desvenlafaxine is a known transformation product of Venlafaxine.

Synonyms

Desvenlafaxine; 93413-62-8; O-Desmethylvenlafaxine; 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol; 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; Khedezla; Newven; Mdd-xr; Desvenlafaxina; NG99554ANW; CHEBI:83527; DTXSID40869118; Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-; Phenol, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-; desvenlafaxinum; O desmethylvenlafaxine

Frequently Asked Questions

What are the CAS number and molecular formula of O-Desmethylvenlafaxine?

CAS 93413-62-8; molecular formula C16H25NO2; molecular weight — g/mol.

What other names is O-Desmethylvenlafaxine known by?

Desvenlafaxine, 93413-62-8, O-Desmethylvenlafaxine, 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol, 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, Khedezla.

Is O-Desmethylvenlafaxine classified as hazardous?

4.3% of GHS notifications report no hazard classification (2 of 46).

What are the key physical properties of O-Desmethylvenlafaxine?

Collision Cross Section: 166.9 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.