Desvenlafaxine

C₁₆H₂₅NO₂CAS 93413-62-8263.38 g/mol

Open in Covalent MOL file

Alcohol Phenol Tertiary amine

Properties

Molecular formula: C₁₆H₂₅NO₂
Molar mass: 263.38 g/mol
Exact mass: 263.1885 Da
logP: 2.73Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H319 Causes serious eye irritation91.3% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

93413-62-8

SMILES

CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1

InChIKey

KYYIDSXMWOZKMP-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Phenol, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-
4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
O-Desmethylvenlafaxine
DVS 233
Pristiq
D-VENIZ
NEWVEN
MDD-XR
O-Desvenlafaxine

Work with Desvenlafaxine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Desvenlafaxine succinate386750-22-7Salt

Similar compounds

Venlafaxine93413-69-569 % similar Venlafaxine hydrochloride99300-78-464 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-544 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride130198-05-941 % similar 4-Cyclohexylphenol1131-60-838 % similar Bisphenol Z843-55-038 % similar Hordenine539-15-137 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dendrobine2115-91-5 Tramadol27203-92-5 Hydroxy-alpha-sanshool83883-10-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook