(1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid (CHEM348186)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 18:33:05 UTC | ||||||||
| Update Date | 2026-08-31 18:33:05 UTC | ||||||||
| Accession Number | CHEM348186 | ||||||||
| Identification | |||||||||
| Common Name | (1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid has the chemical formula C32H39N6O7+. With an average molecular weight of 619.70 g/mol, (1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C32H39N6O7+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 619.288 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5N=N[N+](=N5)C6C(C(C(C(C6O)O)O)C(=O)O)O | ||||||||
| InChI Identifier | InChI=1S/C32H38N6O7/c1-2-3-10-22-33-32(15-6-7-16-32)31(45)37(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)29-34-36-38(35-29)24-25(39)23(30(43)44)26(40)28(42)27(24)41/h4-5,8-9,11-14,23-29,39-42H,2-3,6-7,10,15-17H2,1H3/p+1/t23-,24?,25?,26+,27-,28-,29?/m0/s1 | ||||||||
| InChI Key | GQGGVFUQUGQLOH-XVALDCFZSA-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 | ||||||||
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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 | ||||||||
