CHLOROTHEN HYDROCHLORIDE

First approved in 1948

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18ClN3S.ClH
Molecular Weight	332.292
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN(C)CCN(CC1=CC=C(Cl)S1)C2=CC=CC=N2

InChI

InChIKey=BGBBHUXHUOMKPM-UHFFFAOYSA-N

InChI=1S/C14H18ClN3S.ClH/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12;/h3-8H,9-11H2,1-2H3;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	C14H18ClN3S
Molecular Weight	295.831
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18142753 | https://www.ncbi.nlm.nih.gov/pubmed/18963353

Chlorothen citrate (trade name Tagathen) is an antihistamine and a first generation H1 receptor antagonist, that have been used for the treatment of asthma, bronchitis, and bronchoconstriction.‘-5. Chlorothen is synthesized by condensation of 5-chloro-2-thienylchloride and N,N-dimethyl-N-(2-pyridinyl)ethylenediamine in the presence of sodium or potassium amide

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
AAA Chemistry	AR-1L5826
ABI Chem	AC1L27E3
ABI Chem	AC1Q3Q1H
ChemTik	CTK8H0141
LGC Standards	LGCFOR1867.00	https://www.lgcstandards.com/US/en/p/LGCFOR1867.00
NovoSeek	67362
PubChem	67362	https://pubchem.ncbi.nlm.nih.gov/compound/67362
Smolecule	S576516	https://www.smolecule.com/products/s576516

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:23 GMT 2023` Edited by `admin` on `Fri Dec 15 15:17:23 GMT 2023`
Record UNII	QSP83DUZ6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROTHEN HYDROCHLORIDE

Common Name

English

NSC-27170

Code

English

1,2-ETHANEDIAMINE, N1-((5-CHLORO-2-THIENYL)METHYL)-N2,N2-DIMETHYL-N1-2-PYRIDINYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

THENCHLOR

Common Name

English

2-((5-CHLORO-2-THENYL)(2-(DIMETHYLAMINO)ETHYL)AMINO)PYRIDINE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50928846