IR-58

cas: 2374274-85-6 — see every product listed under this CAS number, including other names

IR-58 (CAS 2374274-85-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2374274-85-6
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Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC58H82BrClN4O6
Molecular weight1046.6 g/mol
IUPAC namemethyl 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
InChIKeyBMRWNJCATBASDR-UHFFFAOYSA-N
SMILESCC1(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

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