3,4-ETHYLENEDIOXYMETHCATHINONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-ETHYLENEDIOXYMETHCATHINONE

Structure Search

SMILES

CNC(C)C(=O)C1=CC=C2OCCOC2=C1

InChI

InChIKey=MRFMNGZRIIBJTB-UHFFFAOYSA-N

InChI=1S/C12H15NO3/c1-8(13-2)12(14)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8,13H,5-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin transporter 178 Target ID: CHEMBL313 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26233799	Inhibitor 8297	347.0 nM [EC50]
Dopamine transporter 180 Target ID: CHEMBL338 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26233799	Inhibitor 8297	496.0 nM [EC50]
Norepinephrine transporter 191 Target ID: CHEMBL304 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26233799	Inhibitor 8297	327.0 nM [EC50]

PubMed

Title	Date	PubMed
Ethylenedioxy homologs of N-methyl-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA) and its corresponding cathinone analog methylenedioxymethcathinone: Interactions with transporters for serotonin, dopamine, and norepinephrine.	2015 Sep 1	26233799

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:00:55 GMT 2023` Edited by `admin` on `Sat Dec 16 19:00:55 GMT 2023`
Record UNII	CXT4C5UJ33
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-ETHYLENEDIOXYMETHCATHINONE

Systematic Name

English

1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLAMINO)-1-PROPANONE

Systematic Name

English

1-PROPANONE, 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLAMINO)-

Systematic Name

English

BK-EDMA

Common Name

English

3,4-EDMC

Common Name

English

Code System Code Type Description

PUBCHEM

82100609

Created by admin on Sat Dec 16 19:00:56 GMT 2023 , Edited by admin on Sat Dec 16 19:00:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID001024649

Created by admin on Sat Dec 16 19:00:56 GMT 2023 , Edited by admin on Sat Dec 16 19:00:56 GMT 2023

PRIMARY

FDA UNII

CXT4C5UJ33

Created by admin on Sat Dec 16 19:00:56 GMT 2023 , Edited by admin on Sat Dec 16 19:00:56 GMT 2023

PRIMARY

CAS

802041-86-7

Created by admin on Sat Dec 16 19:00:56 GMT 2023 , Edited by admin on Sat Dec 16 19:00:56 GMT 2023

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