38079-66-2 Purity
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Specification
PubChem CID of Efipladib is 9853499.
The molecular formula of Efipladib is C40H35Cl3N2O4S.
The molecular weight of Efipladib is 746.1 g/mol.
Efipladib was created on October 25, 2006.
The IUPAC name of Efipladib is 4-[3-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid.
The InChI of Efipladib is InChI=1S/C40H35Cl3N2O4S/c41-32-19-21-37-34(25-32)33(13-7-8-27-14-17-31(18-15-27)40(46)47)38(22-23-44-50(48,49)26-28-16-20-35(42)36(43)24-28)45(37)39(29-9-3-1-4-10-29)30-11-5-2-6-12-30/h1-6,9-12,14-21,24-25,39,44H,7-8,13,22-23,26H2,(H,46,47).
The InChIKey of Efipladib is HIZOPJQOPKRKFM-UHFFFAOYSA-N.
The canonical SMILES of Efipladib is C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl)CCCC6=CC=C(C=C6)C(=O)O.
The CAS number of Efipladib is 381683-94-9.
The molecular weight of Efipladib calculated by PubChem is 746.1 g/mol.