O-Desmethylvenlafaxine supplier

Name
O-Desmethylvenlafaxine
EINECS 200-659-6
CAS No. 93413-62-8
Article Data49
CAS DataBase
Density 1.115 g/cm³
Solubility
Melting Point 208-213 °C
Formula C₁₆H₂₅NO₂
Boiling Point 403.8 °C at 760 mmHg
Molecular Weight 263.38
Flash Point 193.2 °C
Transport Information
Appearance white solid
Safety 7-16-36/37-45-26
Risk Codes 11-23/24/25-39/23/24/25-36
Molecular Structure
Hazard Symbols F,T,Xi
Synonyms 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;DVS 233;Desvenlafaxine;Pristiq;
PSA 43.70000
LogP 2.73260

O-Desmethylvenlafaxine Specification

The CAS register number of O-Desmethylvenlafaxine is 93413-62-8. It also can be called as Phenol,4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]- and the IUPAC name about this chemical is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol. The molecular formula about this chemical is C₁₆H₂₅NO₂and the molecular weight is 263.37. It belongs to the Metabolites. This chemical is a metabolite of Venlafaxine, a selective serotonin noradrenaline reuptake inhibitor and it can be used as an antidepressant.

Physical properties about O-Desmethylvenlafaxine are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.32; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7Å²; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 77.83 cm³; (14)Molar Volume: 236.1 cm³; (15)Polarizability: 30.85x10^-24cm³; (16)Surface Tension: 47.8 dyne/cm; (17)Enthalpy of Vaporization: 69.09 kJ/mol; (18)Boiling Point: 403.8 °C at 760 mmHg; (19)Vapour Pressure: 3.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2(C(c1ccc(O)cc1)CN(C)C)CCCCC2
(2)InChI: InChI=1/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
(3)InChIKey: KYYIDSXMWOZKMP-UHFFFAOYAP
(4)Std. 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
(5)Std. InChIKey: KYYIDSXMWOZKMP-UHFFFAOYSA-N

Product Name

O-Desmethylvenlafaxine

O-Desmethylvenlafaxine Specification

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