QUINUCLIDINYL BENZILATE, (S)-

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)-

Structure Search

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

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor M2 121 Target ID: CHEMBL211 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3385735	Antagonist 2849		5.83 nM [Ki]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:57 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:57 GMT 2025`
Record UNII	VH47AP03H6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUINUCLIDINYL BENZILATE, (S)-

Common Name

English

(S)-(+)-QNB

Preferred Name

English

(S)-3-QUINUCLIDINYL BENZILATE

Systematic 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 Mon Mar 31 21:54:57 GMT 2025 , Edited by admin on Mon Mar 31 21:54:57 GMT 2025

PRIMARY

PUBCHEM

688567

Created by admin on Mon Mar 31 21:54:57 GMT 2025 , Edited by admin on Mon Mar 31 21:54:57 GMT 2025

PRIMARY

CAS

62869-68-5

Created by admin on Mon Mar 31 21:54:57 GMT 2025 , Edited by admin on Mon Mar 31 21:54:57 GMT 2025

PRIMARY

EPA CompTox

DTXSID00863910

Created by admin on Mon Mar 31 21:54:57 GMT 2025 , Edited by admin on Mon Mar 31 21:54:57 GMT 2025

PRIMARY

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