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Details

Stereochemistry ACHIRAL
Molecular Formula C29H34NO3
Molecular Weight 444.5852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)PHENOL

SMILES

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

InChI

InChIKey=SJXRGGUZINKCRE-UHFFFAOYSA-O
InChI=1S/C29H33NO3/c31-27-13-11-24(12-14-27)23-33-22-21-30-18-15-28(16-19-30,17-20-30)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,32H,15-23H2/p+1

HIDE SMILES / InChI

Molecular Formula C29H34NO3
Molecular Weight 444.5852
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:37 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:37 GMT 2023
Record UNII
6AQ69DH8PC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)PHENOL
Systematic Name English
UMECLIDINIUM METABOLITE M33
Common Name English
GSK1761002
Common Name English
Code System Code Type Description
PUBCHEM
156596561
Created by admin on Sat Dec 16 16:33:37 GMT 2023 , Edited by admin on Sat Dec 16 16:33:37 GMT 2023
PRIMARY
FDA UNII
6AQ69DH8PC
Created by admin on Sat Dec 16 16:33:37 GMT 2023 , Edited by admin on Sat Dec 16 16:33:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE