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Idalopirdine

CAT: 0013-GTR19157433-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157433-04Size:2 mg
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Description
Idalopirdine a selective 5-HT6 receptor antagonist (Ki : 0.83 nM) as a treatment for Alzheimer's disease.
CAS Number
467459-31-0
Product Name Alternative
Lu AE58054
Purity
>98% (HPLC)
Smiles
FC (F) C (F) (F) COc1cccc (CNCCc2c[nH]c3cc (F) ccc23) c1
Molecular Formula
C20H19F5N2O
Molecular Weight
398.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Idalopirdine

SGS518, a novel antagonist for the 5HT6 subtype of the serotonin receptor, is being developed as a treatment for Cognitive Impairment Associated with Schizophrenia (CIAS).

CAS Number467459-31-0
PubChem CID21071390
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
Molecular FormulaC20H19F5N2O
Molecular Weight398.4
XLogP5
Topological Polar Surface Area37.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity482
SMILES
C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F
InChI
InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
InChIKey
YBAWYTYNMZWMMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Idalopirdine
CAS: 467459-31-0
CID: 21071390
Formula: C20H19F5N2O
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass398.14175404
Monoisotopic Mass398.14175404
Topological Polar Surface Area37.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M20586-01Idalopirdine
HY-14338A-01Idalopirdine (hydrochloride)
T22936-01Idalopirdine Hydrochloride
510297Idalopirdine HCl
MBS385067-01Lu AE58054 (Idalopirdine)
HY-14338AR-01Idalopirdine (hydrochloride) (Standard)
A12521-100Lu AE58054 (Idalopirdine) 100mg
A12521-50Lu AE58054 (Idalopirdine) 50mg
A12521-2Lu AE58054 (Idalopirdine) 2mg
A12521-1Lu AE58054 (Idalopirdine) 1mg

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