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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30NO.Br
Molecular Weight 464.437
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Hydroxydiphenylmethyl)-1-(phenylmethyl)-1-azabicyclo[2.2.2]octanium bromide

SMILES

[Br-].OC(C1=CC=CC=C1)(C2=CC=CC=C2)C34CC[N+](CC5=CC=CC=C5)(CC3)CC4

InChI

InChIKey=YOFHBDQMAPWLGH-UHFFFAOYSA-M
InChI=1S/C27H30NO.BrH/c29-27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26-16-19-28(20-17-26,21-18-26)22-23-10-4-1-5-11-23;/h1-15,29H,16-22H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C27H30NO
Molecular Weight 384.5332
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 Wed Apr 02 17:24:47 GMT 2025
Edited
by admin
on Wed Apr 02 17:24:47 GMT 2025
Record UNII
W58P8BB5YV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Hydroxydiphenylmethyl)-1-(phenylmethyl)-1-azabicyclo[2.2.2]octanium bromide
Systematic Name English
1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(phenylmethyl)-, bromide
Preferred Name English
1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(phenylmethyl)-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
11698370
Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025
PRIMARY
CAS
869113-10-0
Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025
PRIMARY
FDA UNII
W58P8BB5YV
Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025
PRIMARY