Products 2374274-85-6
CAS 2374274-85-6 is the registry number for IR-58. Offered by: MedChemExpress. Available pack sizes: Get quote.
Methyl 2-[11-[2-[2-[2-chloro-3-[2-[1-[11-[(2-methoxy-2-oxoethyl)amino]-11-oxoundecyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]undecanoylamino]acetate bromide (CAS 2374274-85-6) is a chemical compound with the molecular formula C58H82BrClN4O6 and a molecular weight of 1046.6 g/mol. IUPAC name: methyl 2-[11-[2-[2-[2-chloro-3-[2-[1-[11-[(2-methoxy-2-oxoethyl)amino]-11-oxoundecyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]undecanoylamino]acetate bromide. InChIKey: BMRWNJCATBASDR-UHFFFAOYSA-N.
| Molecular formula | C58H82BrClN4O6 |
|---|---|
| Molecular weight | 1046.6 g/mol |
| IUPAC name | methyl 2-[11-[2-[2-[2-chloro-3-[2-[1-[11-[(2-methoxy-2-oxoethyl)amino]-11-oxoundecyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]undecanoylamino]acetate bromide |
| InChIKey | BMRWNJCATBASDR-UHFFFAOYSA-N |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCCCCCCC(=O)NCC(=O)OC)(C)C)CCC3)Cl)CCCCCCCCCCC(=O)NCC(=O)OC)C.[Br-] |
Computed by PubChem (NCBI)
Synonyms:
orb2565947