4-APB (HYDROCHLORIDE)

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H13NO.ClH
Molecular Weight	211.688
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(N)CC1=CC=CC2=C1C=CO2

InChI

InChIKey=WNVJCFICRFPUFI-UHFFFAOYSA-N

InChI=1S/C11H13NO.ClH/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11;/h2-6,8H,7,12H2,1H3;1H

HIDE SMILES / InChI

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

Molecular Formula	C11H13NO
Molecular Weight	175.227
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 183 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25765500	Inhibitor 8504	5.5 µM [IC50]
Norepinephrine transporter 197 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25765500	Inhibitor 8504	0.24 µM [IC50]
Dopamine transporter 183 Target ID: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25765500	Inhibitor 8504	12.0 µM [IC50]
Serotonin 2a (5-HT2a) receptor 237 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25765500	Partial Agonist 297	0.96 µM [Ki]
Trace amine-associated receptor 1 48 Target ID: CHEMBL3833 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25765500	Binding Agent 1076	0.11 µM [Ki]

PubMed

Title	Date	PubMed
A snapshot on NPS in Italy: Distribution of drugs in seized materials analysed in an Italian forensic laboratory in the period 2013-2015.	2016-08	26874736
Pharmacological profile of novel psychoactive benzofurans.	2015-07	25765500

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:25:32 GMT 2025` Edited by `admin` on `Tue Apr 01 16:25:32 GMT 2025`
Record UNII	S7BGN9M2JT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-APB (HYDROCHLORIDE)

Common Name

English

4-BENZOFURANETHANAMINE, .ALPHA.-METHYL-, HYDROCHLORIDE

Preferred Name

English

4-BENZOFURANETHANAMINE, .ALPHA.-METHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

10130545

Created by admin on Tue Apr 01 16:25:32 GMT 2025 , Edited by admin on Tue Apr 01 16:25:32 GMT 2025

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FDA UNII

S7BGN9M2JT

Created by admin on Tue Apr 01 16:25:32 GMT 2025 , Edited by admin on Tue Apr 01 16:25:32 GMT 2025

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CAS

286834-82-0

Created by admin on Tue Apr 01 16:25:32 GMT 2025 , Edited by admin on Tue Apr 01 16:25:32 GMT 2025

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EPA CompTox

DTXSID901344557

Created by admin on Tue Apr 01 16:25:32 GMT 2025 , Edited by admin on Tue Apr 01 16:25:32 GMT 2025

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Related Record Type Details


					BXL47QK09N

4-(2-AMINOPROPYL)BENZOFURAN

PARENT -> SALT/SOLVATE