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Lifitegrast impurity D

Product Code

TRC-L439420-1G

CAS Number

2295862-00-7

Product Format

Neat

Molecular Formula

C29 H26 N2 O7 S

Molecular Weight

546.591

Product Categories

TRC

Price and availability

48-hour USA dispatch time
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Product Information

Product Data

Analyte Name

Lifitegrast impurity D

CAS Number

2295862-00-7

Molecular Formula

C29 H26 N2 O7 S

Molecular Weight

546.591

Accurate Mass

546.146

SMILES

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2ccc3CN(CCc3c2)C(=O)c4ccc5ccoc5c4)C(=O)O)c1

InChI

InChI=1S/C29H26N2O7S/c1-39(36,37)24-4-2-3-18(13-24)14-25(29(34)35)30-27(32)21-6-8-23-17-31(11-9-20(23)15-21)28(33)22-7-5-19-10-12-38-26(19)16-22/h2-8,10,12-13,15-16,25H,9,11,14,17H2,1H3,(H,30,32)(H,34,35)/t25-/m0/s1

IUPAC

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

Storage & Transport Information

Country of Origin

CANADA

Product Attributes

Product Format

Neat

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