DENATONIUM BENZOATE ANHYDROUS

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

Structure Search

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

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	C7H5O2
Molecular Weight	121.1134
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 `Fri Dec 15 17:11:59 UTC 2023` Edited by `admin` on `Fri Dec 15 17:11:59 UTC 2023`
Record UNII	M5BA6GAF1O
Record Status	`Validated (UNII)`
Record Version

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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