(2s,3s,4s,5r,6s)-6-[3-[[3-bromo-2-[2-(2h-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEM346323)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:29:56 UTC | ||||||||
| Update Date | 2026-08-31 15:29:56 UTC | ||||||||
| Accession Number | CHEM346323 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,4s,5r,6s)-6-[3-[[3-bromo-2-[2-(2h-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3s,4s,5r,6s)-6-[3-[[3-bromo-2-[2-(2h-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a compound with the formula C30H28BrClN6O9. With an average molecular weight of 731.90 g/mol, (2s,3s,4s,5r,6s)-6-[3-[[3-bromo-2-[2-(2h-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H28BrClN6O9 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 730.079 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[3-[[3-bromo-2-[2-(2h-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)C(=O)OC6C(C(C(C(O6)C(=O)O)O)O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H28BrClN6O9/c1-2-3-8-18-33-26(32)20(29(44)47-30-23(41)21(39)22(40)25(46-30)28(42)43)38(18)12-13-9-10-17-16(11-13)19(31)24(45-17)14-6-4-5-7-15(14)27-34-36-37-35-27/h4-7,9-11,21-23,25,30,39-41H,2-3,8,12H2,1H3,(H,42,43)(H,34,35,36,37)/t21-,22-,23+,25-,30-/m0/s1 | ||||||||
| InChI Key | VKTKNNCPLSUGBL-LSJIXTRLSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
