DENATONIUM BENZOATE

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 Search

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

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:59:22 UTC 2023` Edited by `admin` on `Fri Dec 15 14:59:22 UTC 2023`
Record UNII	4YK5Z54AT2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DENATONIUM BENZOATE

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