BG-JF549

cas: 1811539-34-0 — see every product listed under this CAS number, including other names

BG-JF549 (CAS 1811539-34-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1811539-34-0
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Structural formula: {0} (CAS {1})

4-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyl]-2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]benzoate (CAS 1811539-34-0) is a chemical compound with the molecular formula C40H34N8O5 and a molecular weight of 706.7 g/mol. IUPAC name: 4-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyl]-2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]benzoate. InChIKey: ORNJJPXEKBHWLH-UHFFFAOYSA-N.

Identity
Molecular formulaC40H34N8O5
Molecular weight706.7 g/mol
IUPAC name4-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyl]-2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]benzoate
InChIKeyORNJJPXEKBHWLH-UHFFFAOYSA-N
SMILESC1CN(C1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCC5)C=C4O3)C6=C(C=CC(=C6)C(=O)NCC7=CC=C(C=C7)COC8=NC(=NC9=C8NC=N9)N)C(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: orb3177379

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