8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H37NO5
Molecular Weight	395.5329
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE

Structure Search

SMILES

CCN(CC)CCCCCCCCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1

InChI

InChIKey=IBQMHBGFMLHHLE-UHFFFAOYSA-N

InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C22H37NO5
Molecular Weight	395.5329
Charge	0
Count

Stereochemistry	ACHIRAL
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/8692284	Antagonist 2778
Serotonin 3a (5-HT3a) receptor 46 Target ID: CHEMBL1899 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10381768	Antagonist 2778		4.9 null [pIC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:31:30 GMT 2023` Edited by `admin` on `Fri Dec 15 18:31:30 GMT 2023`
Record UNII	T9NF33OQ5T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE

Systematic Name

English

TMB-8

Code

English

TRIMETHOXYBENZOIC ACID, 8-(DIETHYLAMINO)OCTYL ESTER, 3,4,5-

Common Name

English

BENZOIC ACID, 3,4,5-TRIMETHOXY-, 8-(DIETHYLAMINO)OCTYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

T9NF33OQ5T

Created by admin on Fri Dec 15 18:31:30 GMT 2023 , Edited by admin on Fri Dec 15 18:31:30 GMT 2023

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EPA CompTox

DTXSID70206532

Created by admin on Fri Dec 15 18:31:30 GMT 2023 , Edited by admin on Fri Dec 15 18:31:30 GMT 2023

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PUBCHEM

5494

Created by admin on Fri Dec 15 18:31:30 GMT 2023 , Edited by admin on Fri Dec 15 18:31:30 GMT 2023

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CAS

57818-92-5

Created by admin on Fri Dec 15 18:31:30 GMT 2023 , Edited by admin on Fri Dec 15 18:31:30 GMT 2023

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