N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate (CHEM096069)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 07:31:47 UTC | ||||||||
| Update Date | 2026-09-01 04:28:10 UTC | ||||||||
| Accession Number | CHEM096069 | ||||||||
| Identification | |||||||||
| Common Name | N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C46H91N5O4. With an average molecular weight of 838.32 g/mol, N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C46H91N5O4 | ||||||||
| Average Molecular Mass | 838.317 g/mol | ||||||||
| Monoisotopic Mass | 777.707 g/mol | ||||||||
| CAS Registry Number | 68214-51-7 | ||||||||
| IUPAC Name | N-[2-[2-[bis(3-amino-3-oxopropyl)amino]ethyl-octadecanoylamino]ethyl]octadecanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(O)=O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(N)=O)CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-51(42-41-50(38-35-43(47)52)39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4) | ||||||||
| InChI Key | BEGABRDNXCRDEU-UHFFFAOYSA-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 | |||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
