Methyl-J hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H17NO2.ClH
Molecular Weight	243.73
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCC(CC1=CC=C2OCOC2=C1)NC

InChI

InChIKey=LFXXIXAVEJVYGY-UHFFFAOYSA-N

InChI=1S/C12H17NO2.ClH/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11;/h4-5,7,10,13H,3,6,8H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	C12H17NO2
Molecular Weight	207.2689
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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	Potency
Serotonin transporter 178 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8297	2.04 µM [IC50]
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747	Inhibitor 8297	2.8 µM [IC50]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 \| https://www.ncbi.nlm.nih.gov/pubmed/20575841	Agonist 2678	6.62 µM [Ki]

PubMed

Title	Date	PubMed
Neuroendocrine pharmacology of three serotonin releasers: 1-(1,3-benzodioxol-5-yl)-2-(methylamino)butane (MBDB), 5-methoxy-6-methyl-2-aminoindan (MMAi) and p-methylthioamphetamine (MTA).	1996 Dec	8968349
N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine (MBDB): its properties and possible risks.	2000 Jul 1	20575841
PMMA-stimulus generalization to the optical isomers of MBDB and 3,4-DMA.	2001 May-Jun	11420094

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:29:27 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:27 GMT 2023`
Record UNII	32MEB99FFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl-J hydrochloride

Common Name

English

3,4-methylenedioxy-N-methyl-α-ethylphenylethylamine hydrochloride

Systematic Name

English

MBDB hydrochloride

Common Name

English

1,3-Benzodioxole-5-ethanamine, α-ethyl-N-methyl-, hydrochloride

Systematic Name

English

1,3-Benzodioxole-5-ethanamine, α-ethyl-N-methyl-, hydrochloride (1:1)

Systematic Name

English

1,3-Benzodioxolyl-N-methylbutanamine hydrochloride

Systematic Name

English

N-methyl-1,3-benzodioxolylbutanamine hydrochloride

Systematic Name

English

α-Ethyl-N-methyl-1,3-benzodioxole-5-ethanamine hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

14545215

Created by admin on Sat Dec 16 19:29:27 GMT 2023 , Edited by admin on Sat Dec 16 19:29:27 GMT 2023

PRIMARY

CAS

128767-12-4

Created by admin on Sat Dec 16 19:29:27 GMT 2023 , Edited by admin on Sat Dec 16 19:29:27 GMT 2023

PRIMARY

FDA UNII

32MEB99FFS

Created by admin on Sat Dec 16 19:29:27 GMT 2023 , Edited by admin on Sat Dec 16 19:29:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID40561483

Created by admin on Sat Dec 16 19:29:27 GMT 2023 , Edited by admin on Sat Dec 16 19:29:27 GMT 2023

PRIMARY

Related Record Type Details


					E8HMQ4F9JQ

METHYL-J

PARENT -> SALT/SOLVATE

Amount: