N-(Descarboxybenzofurane)-N-4-carboxy-3-hydroxybenzoyl Lifitegrast
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- structure.search.product.name N-(Descarboxybenzofurane)-N-4-carboxy-3-hydroxybenzoyl Lifitegrast
- Product Code: TRC-C019485
- Brand: TRC
Product Overview
Product Code
TRC-C019485
Product Format
Neat
Molecular Formula
C28H24Cl2N2O9S
Molecular Weight
635.46
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
N-(Descarboxybenzofurane)-N-4-carboxy-3-hydroxybenzoyl Lifitegrast
Molecular Formula
C28H24Cl2N2O9S
Molecular Weight
635.46
Accurate Mass
634.058
SMILES
CS(C1=CC=CC(C[C@@H](C(O)=O)NC(C2=C(Cl)C=C(CN(C(C3=CC(O)=C(C(O)=O)C=C3)=O)CC4)C4=C2Cl)=O)=C1)(=O)=O
InChI
InChI=1S/C28H24Cl2N2O9S/c1-42(40,41)17-4-2-3-14(9-17)10-21(28(38)39)31-25(34)23-20(29)11-16-13-32(8-7-18(16)24(23)30)26(35)15-5-6-19(27(36)37)22(33)12-15/h2-6,9,11-12,21,33H,7-8,10,13H2,1H3,(H,31,34)(H,36,37)(H,38,39)/t21-/m0/s1
IUPAC
(S)-4-(6-((1-carboxy-2-(3-(methylsulfonyl)phenyl)ethyl)carbamoyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2-hydroxybenzoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat