4-DAMP cation

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26NO2
Molecular Weight	324.4366
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[N+]1(C)CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=HYJRTXSYDAFGJK-UHFFFAOYSA-N

InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C21H26NO2
Molecular Weight	324.4366
Charge	1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor M3 159 Target ID: CHEMBL245 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8388802 \| https://www.ncbi.nlm.nih.gov/pubmed/2042037 \| https://www.ncbi.nlm.nih.gov/pubmed/8427708	Antagonist 2778		0.31 nM [IC50]
Muscarinic acetylcholine receptor M5 62 Target ID: CHEMBL2035 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26988801	Antagonist 2778		0.32 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:31 UTC 2023` Edited by `admin` on `Fri Dec 15 18:17:31 UTC 2023`
Record UNII	T2C393VHB9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DAMP cation

Common Name

English

PIPERIDINIUM, 4-((DIPHENYLACETYL)OXY)-1,1-DIMETHYL-

Common Name

English

4-((2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYLPIPERIDINIUM

Common Name

English

PIPERIDINIUM, 4-((2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYL-

Systematic Name

English

1,1-DIMETHYL-4-DIPHENYLACETOXYPIPERIDINIUM ION

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70231086

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

CAS

81405-11-0

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

PUBCHEM

1734

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

FDA UNII

T2C393VHB9

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

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