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Details

Stereochemistry ACHIRAL
Molecular Formula C19H27NO3.ClH
Molecular Weight 353.884
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRE-084 hydrochloride

SMILES

Cl.O=C(OCCN1CCOCC1)C2(CCCCC2)C3=CC=CC=C3

InChI

InChIKey=QUJWFJNHTBKCLU-UHFFFAOYSA-N
InChI=1S/C19H27NO3.ClH/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H27NO3
Molecular Weight 317.4226
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
9.0 nM [Ki]
557.0 µM [IC50]
13.95 µM [IC50]
18.75 µM [IC50]
Substance Class Chemical
Record UNII
UC7TX5NVC2
Record Status Validated (UNII)
Record Version