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Volinanserin 25mg

CAT: 0628-A17115-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A17115-25Size:25 mg
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CAS Number
139290-65-6

Chemical Information

(+)-alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4-piperidinemethanol

Volinanserin is under investigation in clinical trial NCT00464243 (Efficacy and Safety of Volinanserin on Sleep Maintenance Insomnia - Polysomnographic Study).

CAS Number139290-65-6
PubChem CID5311271
IUPAC Name(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
Molecular FormulaC22H28FNO3
Molecular Weight373.5
XLogP3.9
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity422
SMILES
COC1=CC=CC(=C1OC)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
InChIKey
HXTGXYRHXAGCFP-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (+)-alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4-piperidinemethanol
CAS: 139290-65-6
CID: 5311271
Formula: C22H28FNO3
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass373.20532192
Monoisotopic Mass373.20532192
Topological Polar Surface Area41.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-14940-01Volinanserin
HY-14940A-01(S) -Volinanserin
AR-V06890-01Volinanserin HCl
AR-V06892-01Volinanserin-d4 HCl
HY-14940SVolinanserin-d4 (hydrochloride)
022855Volinanserin Hydrochloride Salt
AR-V06891-01(S) -Volinanserin HCl
AR-V06893-01Volinanserin-d6 HCl
022856Volinanserin-d4 Hydrochloride Salt

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