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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29N2O.C2H3O2
Molecular Weight 384.5118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENATONIUM ACETATE

SMILES

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

InChI

InChIKey=MRXPBBXBHPUCQZ-UHFFFAOYSA-N
InChI=1S/C21H28N2O.C2H4O2/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;1-2(3)4/h7-14H,5-6,15-16H2,1-4H3;1H3,(H,3,4)

HIDE SMILES / InChI

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

Molecular Formula C2H3O2
Molecular Weight 59.044
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 17:30:33 UTC 2023
Edited
by admin
on Sat Dec 16 17:30:33 UTC 2023
Record UNII
8QG4DAT7RW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENATONIUM ACETATE
Common Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, ACETATE (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
118353494
Created by admin on Sat Dec 16 17:30:33 UTC 2023 , Edited by admin on Sat Dec 16 17:30:33 UTC 2023
PRIMARY
FDA UNII
8QG4DAT7RW
Created by admin on Sat Dec 16 17:30:33 UTC 2023 , Edited by admin on Sat Dec 16 17:30:33 UTC 2023
PRIMARY
CAS
1995890-04-4
Created by admin on Sat Dec 16 17:30:33 UTC 2023 , Edited by admin on Sat Dec 16 17:30:33 UTC 2023
PRIMARY
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