| Identification |
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| Common Name | YM218 |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (Z)-4'-(4,4-Difluoro-5-(2-oxo-2-(4-piperidinopiperidino)ethylidene)-2,3,4,5-tetrahydro-1H-1-benzoazepine-1-carbonyl)-2-methyl-3-furanilide hemifumarate | MeSH | | 4'-(4,4-Difluoro-5-(2-oxo-2-(4-piperidinopiperidino)ethylidene)-2,3,4,5-tetrahydro-1H-1-benzoazepine-1-carbonyl)-2-methyl-3-furanilide | MeSH | | (2E)-But-2-enedioate | | | bis(N-{4-[(5Z)-5-(2-{[1,4'-bipiperidine]-1'-yl}-2-oxoethylidene)-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]phenyl}-2-methylfuran-3-carboxamide) | |
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| Chemical Formula | C74H80F4N8O12 |
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| Average Molecular Mass | 1349.492 g/mol |
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| Monoisotopic Mass | 1348.583 g/mol |
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| CAS Registry Number | NOCAS_48176 |
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| IUPAC Name | (2E)-but-2-enedioic acid; bis(N-{4-[(5Z)-5-(2-{[1,4'-bipiperidine]-1'-yl}-2-oxoethylidene)-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]phenyl}-2-methylfuran-3-carboxamide) |
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| Traditional Name | bis(N-{4-[(5Z)-5-(2-{[1,4'-bipiperidine]-1'-yl}-2-oxoethylidene)-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl}-2-methylfuran-3-carboxamide); fumaric acid |
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| SMILES | [H]\C(=C(\[H])C(O)=O)C(O)=O.[H]\C(C(=O)N1CCC(CC1)N1CCCCC1)=C1/C2=CC=CC=C2N(CCC1(F)F)C(=O)C1=CC=C(NC(=O)C2=C(C)OC=C2)C=C1.[H]\C(C(=O)N1CCC(CC1)N1CCCCC1)=C1/C2=CC=CC=C2N(CCC1(F)F)C(=O)C1=CC=C(NC(=O)C2=C(C)OC=C2)C=C1 |
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| InChI Identifier | InChI=1S/2C35H38F2N4O4.C4H4O4/c2*1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39;5-3(6)1-2-4(7)8/h2*3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43);1-2H,(H,5,6)(H,7,8)/b2*30-23-;2-1+ |
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| InChI Key | BJAABGGGEMTGDF-GWYARAEGSA-N |
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