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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H29N5O3
Molecular Weight 483.5616
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LECOZOTAN

SMILES

C[C@H](CN(C(=O)C1=CC=C(C=C1)C#N)C2=NC=CC=C2)N3CCN(CC3)C4=C5OCCOC5=CC=C4

InChI

InChIKey=NRPQELCNMADTOZ-OAQYLSRUSA-N
InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H29N5O3
Molecular Weight 483.5616
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

LECOZOTAN, a benzodioxanylpiperazine derivative, is a selective serotonin 1A receptor antagonist. It was in development for the symptomatic treatment of cognitive deficits in Alzheimer's disease.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
48854OTZ5E
Record Status Validated (UNII)
Record Version