LIFITEGRAST SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23Cl2N2O7S.Na
Molecular Weight	637.463
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C4=CC=C5C=COC5=C4)C=C2Cl)C([O-])=O)=CC=C1

InChI

InChIKey=BPWOKOSRORLLIN-BQAIUKQQSA-M

InChI=1S/C29H24Cl2N2O7S.Na/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18;/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37);/q;+1/p-1/t23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C29H23Cl2N2O7S
Molecular Weight	614.473
Charge	-1
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 02:17:17 UTC 2023` Edited by `admin` on `Sat Dec 16 02:17:17 UTC 2023`
Record UNII	QG18FLP1KP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LIFITEGRAST SODIUM

Official Name

English

Sodium (2S)-2-({[2-(benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl]carbonyl}amino)-3-[3-(methylsulfonyl)phenyl]propanoate

Common Name

English

SAR-1118-023

Code

English

LIFITEGRAST SODIUM [USAN]

Common Name

English

SAR 1118-023

Code

English

Lifitegrast sodium [WHO-DD]

Common Name

English

L-PHENYLALANINE, N-((2-(6-BENZOFURANYLCARBONYL)-5,7-DICHLORO-1,2,3,4-TETRAHYDRO-6-ISOQUINOLINYL)CARBONYL)-3-(METHYLSULFONYL)-, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40149785