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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29N2O.C7H5O2.H2O
Molecular Weight 464.5964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENATONIUM BENZOATE

SMILES

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

InChI

InChIKey=YYMVPVZYUYQSJE-UHFFFAOYSA-N
InChI=1S/C21H28N2O.C7H6O2.H2O/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);1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
DENATONIUM BENZOATE
II   MART.   USAN   VANDF  
INCI   USAN  
Official Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, BENZOATE, HYDRATE (1:1:1)
Systematic Name English
DENATONIUM BENZOATE [MART.]
Common Name English
Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate monohydrate
Systematic Name English
DENATONIUM BENZOATE [VANDF]
Common Name English
BITREX
Brand Name English
DENATONIUM BENZOATE [II]
Common Name English
DENATONIUM BENZOATE MONOHYDRATE
Common Name English
LIDOCAINE BENZYL BENZOATE HYDRATE
Common Name English
BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL-, BENZOATE, MONOHYDRATE
Systematic Name English
DENATONIUM BENZOATE HYDRATE
Common Name English
DENATONIUM BENZOATE [USP-RS]
Common Name English
DENATONIUM BENZOATE [USAN]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.536
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
NCI_THESAURUS C83486
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1738972
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
MESH
C029408
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
NCI_THESAURUS
C76704
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
CAS
86398-53-0
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
SMS_ID
100000083715
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID50235522
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
RXCUI
1313232
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY RxNorm
DAILYMED
4YK5Z54AT2
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
PUBCHEM
168900
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
FDA UNII
4YK5Z54AT2
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1171003
Created by admin on Fri Dec 15 14:59:22 UTC 2023 , Edited by admin on Fri Dec 15 14:59:22 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of DENATONIUM
PARENT (SALT/SOLVATE)
Structure of Benzoic acid
SUBSTANCE RECORD
Structure of DENATONIUM BENZOATE
NIH
NCATS
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