5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride

CAS NO.：1289646-93-0
Empirical Formula: C10H10Cl3NO2
Molecular Weight: 282.55
MDL number: MFCD31556162
Update Date: 2023-07-12 10:41:40

What is 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride?

General Description

5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride, also known as Lifitegrast Impurity 5, is an impurity of Lifitegrast. Lifitegrast is a FDA approved drug for the treatment of keratoconjunctivitis sicca (dry eye syndrome). It is a tetrahydroisoquinoline derivative and lymphocyte function-associated antigen-1 ( LFA-1) antagonist that was discovered through the rational design process.

Properties of 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride

InChI

InChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H

Safety information for 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride

InChIKey	CGXSFPJGZFRGNL-UHFFFAOYSA-N
SMILES	ClC1C(=C(Cl)C=C2CNCCC=12)C(=O)O.Cl

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Related products of tetrahydrofuran

L-Phenylalanine, N-[(5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl]-3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)

Ethyl benzofuran-6-carboxylate

(R)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride

benzyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate

lifitegrast

2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester

Lifitegrast Impurity 8

Lifitegrast Impurity 9 HCl