DENATONIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H29N2O
Molecular Weight	325.4678
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of DENATONIUM

Structure Search

SMILES

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

InChI

InChIKey=ZFQMTVNLDNXRNQ-UHFFFAOYSA-O

InChI=1S/C21H28N2O/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/h7-14H,5-6,15-16H2,1-4H3/p+1

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:28 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:28 UTC 2023`
Record UNII	4IK22DF4OU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DENATONIUM

Common Name

English

BENZYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM

Systematic Name

English

BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL

Common Name

English

DENATONIUM [VANDF]

Common Name

English

Denatonium [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C83486

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

Code System Code Type Description

WIKIPEDIA

DENATONIUM

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

SMS_ID

100000087748

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID9043770

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

EVMPD

SUB01582MIG

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

PUBCHEM

15488

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

RXCUI

1546417

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

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RxNorm

CAS

47324-98-1

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

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DAILYMED

4IK22DF4OU

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

NCI_THESAURUS

C83659

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

FDA UNII

4IK22DF4OU

Created by admin on Fri Dec 15 15:29:28 UTC 2023 , Edited by admin on Fri Dec 15 15:29:28 UTC 2023

PRIMARY

Related Record Type Details


					0W5171805N

DENATONIUM CHLORIDE

SALT/SOLVATE -> PARENT


					YE84H43CRF

DENATONIUM ACETATE MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					M5BA6GAF1O

DENATONIUM BENZOATE ANHYDROUS

SALT/SOLVATE -> PARENT


					G2NT7SMW7M

DENATONIUM SACCHARIDE

SALT/SOLVATE -> PARENT


					8QG4DAT7RW

DENATONIUM ACETATE

SALT/SOLVATE -> PARENT

Amount:


					4YK5Z54AT2

DENATONIUM BENZOATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					4IK22DF4OU

ACTIVE MOIETY