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NCI-B16

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Category Hepatitis C Virus (HCV)
CAS 802835-01-4
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Product Information

Synonyms 5300-56-1;3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid;NCI-B16;3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid;NSC63683;3,5-Bis(3-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)ureido)benzoic acid;802835-01-4;NSC 63683;DTXSID60201051;HY-156215;CS-0897638;
IUPAC Name 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
Molecular Weight 875.1
Molecular Formula C48H74O14
Canonical SMILES CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
InChI InChI=1S/C27H26N8O4/c36-25(37)18-13-21(34-26(38)32-19-5-1-16(2-6-19)23-28-9-10-29-23)15-22(14-18)35-27(39)33-20-7-3-17(4-8-20)24-30-11-12-31-24/h1-8,13-15H,9-12H2,(H,28,29)(H,30,31)(H,36,37)(H2,32,34,38)(H2,33,35,39)
InChIKey PQQQHHNCTCOPJD-UHFFFAOYSA-N
Appearance Solid
Storage -20°C, protect from light
*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

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