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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29N2O.C7H5O2
Molecular Weight 446.5812
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENATONIUM BENZOATE ANHYDROUS

SMILES

[O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC2=C(C)C=CC=C2C)CC3=CC=CC=C3

InChI

InChIKey=VWTINHYPRWEBQY-UHFFFAOYSA-N
InChI=1S/C21H28N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
DENATONIUM BENZOATE ANHYDROUS
Common Name English
NSC-157658
Code English
N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYLBENZENEMETHANAMINIUM BENZOATE
Systematic Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, BENZOATE
Systematic Name English
Denatonium benzoate [WHO-DD]
Common Name English
LIDOCAINE BENZYL BENZOATE
Common Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, BENZOATE (1:1)
Systematic Name English
THS-839
Code English
BENZYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM BENZOATE
Systematic Name English
ECX-95BY
Code English
DENATONIUM BENZOATE [MI]
Common Name English
denatonium benzoate [INN]
Common Name English
DENATONIUM BENZOATE [INCI]
Common Name English
LIGNOCAINE BENZYL BENZOATE
Common Name English
WIN-16568
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 9106
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C175715
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
PUBCHEM
19518
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
EVMPD
SUB06972MIG
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID8034376
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
INN
1950
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
MERCK INDEX
m4163
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY Merck Index
RXCUI
1313231
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY RxNorm
DAILYMED
M5BA6GAF1O
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
NSC
157658
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-095-2
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
FDA UNII
M5BA6GAF1O
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
CAS
3734-33-6
Created by admin on Fri Dec 15 17:11:59 UTC 2023 , Edited by admin on Fri Dec 15 17:11:59 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of DENATONIUM
PARENT (SALT/SOLVATE)
Structure of Benzoic acid
NIH
NCATS
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