7-Deschlorolifitegrast

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H25ClN2O7S
Molecular Weight	581.036
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC=CC(C[C@H](NC(=O)C2=C(Cl)C=C3CN(CCC3=C2)C(=O)C4=CC=C5C=COC5=C4)C(O)=O)=C1

InChI

InChIKey=PSJZQFXZHZANSZ-VWLOTQADSA-N

InChI=1S/C29H25ClN2O7S/c1-40(37,38)22-4-2-3-17(11-22)12-25(29(35)36)31-27(33)23-13-19-7-9-32(16-21(19)14-24(23)30)28(34)20-6-5-18-8-10-39-26(18)15-20/h2-6,8,10-11,13-15,25H,7,9,12,16H2,1H3,(H,31,33)(H,35,36)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H25ClN2O7S
Molecular Weight	581.036
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:12:25 GMT 2023` Edited by `admin` on `Sat Dec 16 19:12:25 GMT 2023`
Record UNII	KGQ3JG5QNA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Deschlorolifitegrast

Common Name

English

7-Deschloro lifitegrast

Common Name

English

N-[[2-(6-Benzofuranylcarbonyl)-7-chloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine

Systematic Name

English

L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-7-chloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-

Systematic Name

English

Code System Code Type Description

CAS

2322380-18-5

Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023

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PUBCHEM

143879407

Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023

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FDA UNII

KGQ3JG5QNA

Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023

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