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Details

Stereochemistry RACEMIC
Molecular Formula C29H34NO3
Molecular Weight 444.5852
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

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

SMILES

OC1=CC=C(C=C1)C(O)(C2=CC=CC=C2)C34CC[N+](CCOCC5=CC=CC=C5)(CC3)CC4

InChI

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

HIDE SMILES / InChI

Molecular Formula C29H34NO3
Molecular Weight 444.5852
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:00 UTC 2023
Edited
by admin
on Sat Dec 16 16:09:00 UTC 2023
Record UNII
RD3A5XD3FE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((1-(2-BENZYLOXYETHYL)QUINUCLIDIN-1-IUM-4-YL)-HYDROXY-PHENYL-METHYL)PHENOL
Systematic Name English
UMECLIDINIUM METABOLITE M37
Common Name English
Code System Code Type Description
PUBCHEM
165412041
Created by admin on Sat Dec 16 16:09:00 UTC 2023 , Edited by admin on Sat Dec 16 16:09:00 UTC 2023
PRIMARY
FDA UNII
RD3A5XD3FE
Created by admin on Sat Dec 16 16:09:00 UTC 2023 , Edited by admin on Sat Dec 16 16:09:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE