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Details

Stereochemistry ACHIRAL
Molecular Formula C29H34NO4
Molecular Weight 460.5846
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)BENZENE-1,2-DIOL

SMILES

OC1=CC=C(COCC[N+]23CCC(CC2)(CC3)C(O)(C4=CC=CC=C4)C5=CC=CC=C5)C=C1O

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 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:40:53 UTC 2023
Edited
by admin
on Sat Dec 16 16:40:53 UTC 2023
Record UNII
H8W87JZ3H2
Record Status Validated (UNII)
Record Version
  • Download
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
Common Name English
Code System Code Type Description
PUBCHEM
156596584
Created by admin on Sat Dec 16 16:40:53 UTC 2023 , Edited by admin on Sat Dec 16 16:40:53 UTC 2023
PRIMARY
FDA UNII
H8W87JZ3H2
Created by admin on Sat Dec 16 16:40:53 UTC 2023 , Edited by admin on Sat Dec 16 16:40:53 UTC 2023
PRIMARY
Related Record Type Details
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