[(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate (CHEM329133)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 14:33:08 UTC | ||||||||
| Update Date | 2026-08-30 14:33:08 UTC | ||||||||
| Accession Number | CHEM329133 | ||||||||
| Identification | |||||||||
| Common Name | [(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is a chemical compound with the formula C22H31N5O5. It has an average molecular weight of 445.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H31N5O5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 445.233 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C2=C(C=C1)N(C=N2)CCCN3CCN(CC3)C4COC5C4OCC5O[N+](=O)[O-])C | ||||||||
| InChI Identifier | InChI=1S/C22H31N5O5/c1-15-4-5-17-20(16(15)2)23-14-26(17)7-3-6-24-8-10-25(11-9-24)18-12-30-22-19(32-27(28)29)13-31-21(18)22/h4-5,14,18-19,21-22H,3,6-13H2,1-2H3/t18-,19-,21+,22+/m0/s1 | ||||||||
| InChI Key | FDYNPQIPBROUDE-SEIRJHJZSA-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 | ||||||||
| 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 | ||||||||
