Heptyl (CHEM101839)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 12:43:54 UTC | ||||||||
| Update Date | 2026-08-19 17:37:07 UTC | ||||||||
| Accession Number | CHEM101839 | ||||||||
| Identification | |||||||||
| Common Name | Heptyl | ||||||||
| Class | Small Molecule | ||||||||
| Description | Heptyl is an organic compound with the formula C16H28N4O6 and an average molecular weight of 99.20 g/mol. Heptyl belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It is classified as an organic oxygen compound. Regarding its biological activity, one protein target has been recorded for this compound: the Gag-Pol polyprotein (gag-pol). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H28N4O6 | ||||||||
| Average Molecular Mass | 99.197 g/mol | ||||||||
| Monoisotopic Mass | 372.201 g/mol | ||||||||
| CAS Registry Number | 815588-85-3 | ||||||||
| IUPAC Name | heptyl N-{5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}carbamate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [CH2]CCCCCC | ||||||||
| InChI Identifier | InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1 | ||||||||
| InChI Key | SZWIAFVYPPMZML-YNEHKIRRSA-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 | ||||||||
