5-METHYLFURTRETHONIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16NO
Molecular Weight	154.2294
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C[N+](C)(C)C)O1

InChI

InChIKey=KOWVJDFMEZKDDT-UHFFFAOYSA-N

InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula	C9H16NO
Molecular Weight	154.2294
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	Potency
Muscarinic acetylcholine receptor M2 121 Target ID: CHEMBL211 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18543900	Agonist 2678	6.02 null [pKi]
Muscarinic acetylcholine receptor M3 159 Target ID: CHEMBL245 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18543900	Agonist 2678	5.21 null [pKi]
Muscarinic acetylcholine receptor M4 86 Target ID: CHEMBL1821 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18543900	Agonist 2678	5.2 null [pKi]
Muscarinic acetylcholine receptor M5 62 Target ID: CHEMBL2035 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18543900	Agonist 2678	5.16 null [pKi]
Muscarinic acetylcholine receptor M1 169 Target ID: CHEMBL216 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18543900	Agonist 2678	5.1 null [pKi]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:14:34 GMT 2023` Edited by `admin` on `Fri Dec 15 18:14:34 GMT 2023`
Record UNII	T1W11CO5XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-METHYLFURTRETHONIUM

Common Name

English

METHYLFURTHRETHONIUM

Systematic Name

English

N,N,N,5-TETRAMETHYL-2-FURANMETHANAMINIUM

Systematic Name

English

2-FURANMETHANAMINIUM, N,N,N,5-TETRAMETHYL-

Common Name

English

Code System Code Type Description

PUBCHEM

4141

Created by admin on Fri Dec 15 18:14:34 GMT 2023 , Edited by admin on Fri Dec 15 18:14:34 GMT 2023

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EPA CompTox

DTXSID80931181

Created by admin on Fri Dec 15 18:14:34 GMT 2023 , Edited by admin on Fri Dec 15 18:14:34 GMT 2023

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CAS

14172-53-3

Created by admin on Fri Dec 15 18:14:34 GMT 2023 , Edited by admin on Fri Dec 15 18:14:34 GMT 2023

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FDA UNII

T1W11CO5XU

Created by admin on Fri Dec 15 18:14:34 GMT 2023 , Edited by admin on Fri Dec 15 18:14:34 GMT 2023

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