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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO3
Molecular Weight 337.4122
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINUCLIDINYL BENZILATE, (S)-

SMILES

OC(C(=O)O[C@@H]1CN2CCC1CC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=HGMITUYOCPPQLE-LJQANCHMSA-N
InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H23NO3
Molecular Weight 337.4122
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
5.83 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:35 GMT 2023
Record UNII
VH47AP03H6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINUCLIDINYL BENZILATE, (S)-
Common Name English
(S)-3-QUINUCLIDINYL BENZILATE
Systematic Name English
(S)-(+)-QNB
Common Name English
QUINUCLIDINYL BENZILATE, (+)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (3S)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER
Systematic Name English
(+)-3-QUINUCLIDINYL BENZILATE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (S)-
Systematic Name English
L-QUINUCLIDINYL BENZILATE
Common Name English
Code System Code Type Description
FDA UNII
VH47AP03H6
Created by admin on Sat Dec 16 08:09:35 GMT 2023 , Edited by admin on Sat Dec 16 08:09:35 GMT 2023
PRIMARY
PUBCHEM
688567
Created by admin on Sat Dec 16 08:09:35 GMT 2023 , Edited by admin on Sat Dec 16 08:09:35 GMT 2023
PRIMARY
CAS
62869-68-5
Created by admin on Sat Dec 16 08:09:35 GMT 2023 , Edited by admin on Sat Dec 16 08:09:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID00863910
Created by admin on Sat Dec 16 08:09:35 GMT 2023 , Edited by admin on Sat Dec 16 08:09:35 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER