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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H35N2O.Br
Molecular Weight 471.473
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Amino-4-oxo-3,3-diphenylbutyl)-1-methyl-1-azoniaspiro[4.5]decane bromide

SMILES

[Br-].C[N+]3(CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)CCCC34CCCCC4

InChI

InChIKey=WRBFDDJUTKPSPE-UHFFFAOYSA-N
InChI=1S/C26H34N2O.BrH/c1-28(20-11-18-25(28)16-9-4-10-17-25)21-19-26(24(27)29,22-12-5-2-6-13-22)23-14-7-3-8-15-23;/h2-3,5-8,12-15H,4,9-11,16-21H2,1H3,(H-,27,29);1H

HIDE SMILES / InChI

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

Molecular Formula C26H35N2O
Molecular Weight 391.5689
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 Wed Apr 02 20:31:40 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:40 GMT 2025
Record UNII
B3HCM9M8XT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Amino-4-oxo-3,3-diphenylbutyl)-1-methyl-1-azoniaspiro[4.5]decane bromide
Systematic Name English
1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methyl-1-azoniaspiro[4.5]decane bromide
Preferred Name English
1-Azoniaspiro[4.5]decane, 1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-methyl-, bromide
Systematic Name English
Code System Code Type Description
CAS
5421-65-8
Created by admin on Wed Apr 02 20:31:40 GMT 2025 , Edited by admin on Wed Apr 02 20:31:40 GMT 2025
PRIMARY
FDA UNII
B3HCM9M8XT
Created by admin on Wed Apr 02 20:31:40 GMT 2025 , Edited by admin on Wed Apr 02 20:31:40 GMT 2025
PRIMARY
PUBCHEM
24834041
Created by admin on Wed Apr 02 20:31:40 GMT 2025 , Edited by admin on Wed Apr 02 20:31:40 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE