U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C35H38NO2
Molecular Weight 504.6817
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-([1,1?-Biphenyl]-3-ylhydroxyphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octane

SMILES

OC(C1=CC=CC=C1)(C2=CC=CC(=C2)C3=CC=CC=C3)C45CC[N+](CCOCC6=CC=CC=C6)(CC4)CC5

InChI

InChIKey=LHWLMRROJGCCAY-UHFFFAOYSA-N
InChI=1S/C35H38NO2/c37-35(32-16-8-3-9-17-32,33-18-10-15-31(27-33)30-13-6-2-7-14-30)34-19-22-36(23-20-34,24-21-34)25-26-38-28-29-11-4-1-5-12-29/h1-18,27,37H,19-26,28H2/q+1

HIDE SMILES / InChI

Molecular Formula C35H38NO2
Molecular Weight 504.6817
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:43:37 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:37 GMT 2025
Record UNII
P8FTL3K48P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-([1,1?-Biphenyl]-3-ylhydroxyphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octane
Systematic Name English
1-Azoniabicyclo[2.2.2]octane, 4-([1,1?-biphenyl]-3-ylhydroxyphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-
Preferred Name English
Code System Code Type Description
FDA UNII
P8FTL3K48P
Created by admin on Wed Apr 02 19:43:37 GMT 2025 , Edited by admin on Wed Apr 02 19:43:37 GMT 2025
PRIMARY
PUBCHEM
153470791
Created by admin on Wed Apr 02 19:43:37 GMT 2025 , Edited by admin on Wed Apr 02 19:43:37 GMT 2025
PRIMARY
CAS
2253743-37-0
Created by admin on Wed Apr 02 19:43:37 GMT 2025 , Edited by admin on Wed Apr 02 19:43:37 GMT 2025
PRIMARY