N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine
CAS Registry Number®
1025967-78-5
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CAS Name
N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanineMolecular Formula
C29H24Cl2N2O7SMolecular Mass
615.48Cite this Page
N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1025967-78-5 (retrieved ) (CAS RN: 1025967-78-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
154-156 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H24Cl2N2O7S/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)/t23-/m0/s1
InChIKey
InChIKey=JFOZKMSJYSPYLN-QHCPKHFHSA-N
SMILES
ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(O)=O)=O
Canonical SMILES
O=C(O)C(NC(=O)C1=C(Cl)C=C2C(=C1Cl)CCN(C(=O)C=3C=CC=4C=COC4C3)C2)CC5=CC=CC(=C5)S(=O)(=O)C
Other Names for this Substance
- L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-
- N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine
- Lifitegrast
- SAR 1118
- Xiidra
Deleted or Replaced CAS Registry Numbers
915397-62-5, 1356856-75-1
