Account Sodium (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
- Catalog No. :
- ACLGPQ824
- CAS No. :
- 1119276-80-0
- Molecular Formula :
- C29H23Cl2N2NaO7S
- Molecular Weight :
- 637.47
IUPAC Name:sodium (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
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Product Information
| Product Name | Sodium (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate |
|---|---|
| IUPAC Name | sodium (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate |
| Molecular Formula | C29H23Cl2N2NaO7S |
| Molecular Weight | 637.47 |
| SMILES | O=C([O-])[C@@H](NC(C1=C(Cl)C2=C(CN(C(C3=CC=C4C=COC4=C3)=O)CC2)C=C1Cl)=O)CC5=CC=CC(S(=O)(C)=O)=C5.[Na+] |
| InChI Key | BPWOKOSRORLLIN-BQAIUKQQSA-M |
| Synonym | Sodium Lifitegrast;N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, sodium salt (1:1);SAR 1118-023;Lifitegrast sodium;LIFITEGRAST SODIUM; SAR-1118-023; SAR 1118-023; SAR1118-023; XIIDRA;Xiidra |
| CAS No. | 1119276-80-0 |
| PubChem CID | 56963348 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACLGPQ824 Molecular Building Block Synthetic Route
(S)-2-(2-(Benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
(R)-2-(2-(Benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate