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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H29N2O.Cl
Molecular Weight 360.921
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENATONIUM CHLORIDE

SMILES

[Cl-].CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC2=CC=CC=C2

InChI

InChIKey=YNQALPDYZRNHNK-UHFFFAOYSA-N
InChI=1S/C21H28N2O.ClH/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;/h7-14H,5-6,15-16H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C21H29N2O
Molecular Weight 325.4678
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
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 Fri Dec 15 17:46:23 UTC 2023
Edited
by admin
on Fri Dec 15 17:46:23 UTC 2023
Record UNII
0W5171805N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENATONIUM CHLORIDE
VANDF  
Common Name English
DENATONIUM CHLORIDE [VANDF]
Common Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, CHLORIDE (1:1)
Systematic Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, CHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
0W5171805N
Created by admin on Fri Dec 15 17:46:23 UTC 2023 , Edited by admin on Fri Dec 15 17:46:23 UTC 2023
PRIMARY
MESH
C043414
Created by admin on Fri Dec 15 17:46:23 UTC 2023 , Edited by admin on Fri Dec 15 17:46:23 UTC 2023
PRIMARY
PUBCHEM
15487
Created by admin on Fri Dec 15 17:46:23 UTC 2023 , Edited by admin on Fri Dec 15 17:46:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID20937329
Created by admin on Fri Dec 15 17:46:23 UTC 2023 , Edited by admin on Fri Dec 15 17:46:23 UTC 2023
PRIMARY
CAS
1674-99-3
Created by admin on Fri Dec 15 17:46:23 UTC 2023 , Edited by admin on Fri Dec 15 17:46:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY