3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid (CHEM346371)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:34:28 UTC | ||||||||
| Update Date | 2026-08-31 15:34:28 UTC | ||||||||
| Accession Number | CHEM346371 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid has the chemical formula C30H29N6O9+. With an average molecular weight of 617.60 g/mol, 3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H29N6O9+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 617.200 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC1=[N+](C2=C(C=CC=C2N1)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C6C(C(C(C(O6)C(=O)O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C30H28N6O9/c1-2-44-30-31-20-9-5-8-19(28(40)41)21(20)35(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-36(33-26)27-24(39)22(37)23(38)25(45-27)29(42)43/h3-13,22-25,27,37-39H,2,14H2,1H3,(H2,40,41,42,43)/p+1/t22-,23-,24+,25-,27?/m0/s1 | ||||||||
| InChI Key | DKFREKVMLYJKFG-XOEMIVIESA-O | ||||||||
| 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 | ||||||||
| Spectra | |||||||||
| 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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
