Talsupram hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H25NS.ClH
Molecular Weight	347.945
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CNCCCC1(SC(C)(C)C2=CC=CC=C12)C3=CC=CC=C3

InChI

InChIKey=YMZCMCDSCRSIBS-UHFFFAOYSA-N

InChI=1S/C20H25NS.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;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	C20H25NS
Molecular Weight	311.484
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16322935 | Fillion G., Briley M., New Concepts in Depression, retrieved from: https://books.google.ru/books?id=pDRdDwAAQBAJ&pg=PA205&lpg=PA205&dq=TALSUPRAM+depression&source=bl&ots=-LzpLlJNVi&sig=ACfU3U2NjQNkXOPDi-BRoWiTmY-VVV62Og&hl=ru&sa=X&ved=2ahUKEwjxyMiL0prjAhXq0aYKHVXxDR8Q6AEwB3oECAkQAQ#v=onepage&q=TALSUPRAM%20depression&f=false

Approval Year

Targets

Primary Target	Pharmacology	Potency
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2999402	Inhibitor 8297	0.79 nM [IC50]
Dopamine transporter 180 Target ID: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2999402	Inhibitor 8297	9300.0 nM [IC50]
Serotonin transporter 178 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2999402	Inhibitor 8297	850.0 nM [IC50]
Norepinephrine transporter 191 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2999402	Inhibitor 8297	0.79 nM [IC50]

PubMed

Title	Date	PubMed
Synthesis and biological evaluation of [11C]talopram and [11C]talsupram: candidate PET ligands for the norepinephrine transporter.	2004 Aug	15246361
Synthesis and positron emission tomography evaluation of three norepinephrine transporter radioligands: [C-11]desipramine, [C-11]talopram and [C-11]talsupram.	2006 Jan-Feb	16322935
Noradrenergic mechanisms in cocaine-induced reinstatement of drug seeking in squirrel monkeys.	2007 Aug	17505018

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:43:24 GMT 2023` Edited by `admin` on `Sat Dec 16 01:43:24 GMT 2023`
Record UNII	T3HY6R3E6V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Talsupram hydrochloride

Common Name

English

3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine hydrochloride

Systematic Name

English

1-(3-Methylaminopropyl)-1-phenyl-3,3-dimethylthiophthalane hydrochloride

Systematic Name

English

Benzo[c]thiophene-1-propanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, hydrochloride

Systematic Name

English

Benzo[c]thiophene-1-propanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, hydrochloride (1:1)

Systematic Name

English

N,3,3-Trimethyl-1-phenyl-1-benzo[c]thiophenepropylamine hydrochloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

33013

Created by admin on Sat Dec 16 01:43:24 GMT 2023 , Edited by admin on Sat Dec 16 01:43:24 GMT 2023

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FDA UNII

T3HY6R3E6V

Created by admin on Sat Dec 16 01:43:24 GMT 2023 , Edited by admin on Sat Dec 16 01:43:24 GMT 2023

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EPA CompTox

DTXSID60948373

Created by admin on Sat Dec 16 01:43:24 GMT 2023 , Edited by admin on Sat Dec 16 01:43:24 GMT 2023

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CAS

25487-28-9

Created by admin on Sat Dec 16 01:43:24 GMT 2023 , Edited by admin on Sat Dec 16 01:43:24 GMT 2023

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