4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)BENZENE-1,2-DIOL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H34NO4
Molecular Weight	460.5846
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of 4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)BENZENE-1,2-DIOL

Structure Search

SMILES

OC1=C(O)C=C(COCC[N+]23CCC(CC2)(CC3)C(O)(C4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChIKey=SYKZPYOMCDNIIL-UHFFFAOYSA-O

InChI=1S/C29H33NO4/c31-26-12-11-23(21-27(26)32)22-34-20-19-30-16-13-28(14-17-30,15-18-30)29(33,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,21,33H,13-20,22H2,(H-,31,32)/p+1

HIDE SMILES / InChI

Molecular Formula	C29H34NO4
Molecular Weight	460.5846
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:11:38 GMT 2025` Edited by `admin` on `Wed Apr 02 08:11:38 GMT 2025`
Record UNII	H8W87JZ3H2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)BENZENE-1,2-DIOL

Systematic Name

English

UMECLIDINIUM METABOLITE M51

Preferred Name

English

Code System Code Type Description

PUBCHEM

156596584

Created by admin on Wed Apr 02 08:11:38 GMT 2025 , Edited by admin on Wed Apr 02 08:11:38 GMT 2025

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FDA UNII

H8W87JZ3H2

Created by admin on Wed Apr 02 08:11:38 GMT 2025 , Edited by admin on Wed Apr 02 08:11:38 GMT 2025

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