QX-314 BROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H27N2O.Br
Molecular Weight	343.302
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].CC[N+](CC)(CC)CC(=O)NC1=C(C)C=CC=C1C

InChI

InChIKey=DLHMKHREUTXMCH-UHFFFAOYSA-N

InChI=1S/C16H26N2O.BrH/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5;/h9-11H,6-8,12H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C16H27N2O
Molecular Weight	263.3984
Charge	1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Sodium channel alpha subunits; brain (Types I, II, III) 28 Target ID: CHEMBL2096682 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2579237	Inhibitor 8297	97.0 µM [IC50]
Vanilloid receptor 53 Target ID: CHEMBL4794 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21502857	Modulator 828	8.0 µM [IC50]
Muscarinic acetylcholine receptor M1 169 Target ID: CHEMBL216 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10910501	Antagonist 2778	2.4 mM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:34:15 GMT 2023` Edited by `admin` on `Sat Dec 16 16:34:15 GMT 2023`
Record UNII	3OYF1S84EN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QX-314 BROMIDE

Code

English

N-(2,6-DIMETHYLPHENYLCARBAMOYLMETHYL)TRIETHYLAMMONIUM BROMIDE

Common Name

English

ETHANAMINIUM, 2-((2,6-DIMETHYLPHENYL)AMINO)-N,N,N-TRIETHYL-2-OXO-, BROMIDE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

24003-58-5

Created by admin on Sat Dec 16 16:34:15 GMT 2023 , Edited by admin on Sat Dec 16 16:34:15 GMT 2023

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EPA CompTox

DTXSID001018052

Created by admin on Sat Dec 16 16:34:15 GMT 2023 , Edited by admin on Sat Dec 16 16:34:15 GMT 2023

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FDA UNII

3OYF1S84EN

Created by admin on Sat Dec 16 16:34:15 GMT 2023 , Edited by admin on Sat Dec 16 16:34:15 GMT 2023

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PUBCHEM

9884487

Created by admin on Sat Dec 16 16:34:15 GMT 2023 , Edited by admin on Sat Dec 16 16:34:15 GMT 2023

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