BP Fluor 594 NHS ester

cas: 1638544-48-5 — see every product listed under this CAS number, including other names

BP Fluor 594 NHS ester (CAS 1638544-48-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1638544-48-5
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Structural formula: {0} (CAS {1})

5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[6,7,7,19,19,20-hexamethyl-9,17-bis(sulfomethyl)-2-oxonia-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),8,11,13,15,17,21-nonaen-13-yl]benzoate (CAS 1638544-48-5) is a chemical compound with the molecular formula C39H37N3O13S2 and a molecular weight of 819.9 g/mol. IUPAC name: 5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[6,7,7,19,19,20-hexamethyl-9,17-bis(sulfomethyl)-2-oxonia-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),8,11,13,15,17,21-nonaen-13-yl]benzoate. InChIKey: KWHCBZDWVYWWLE-UHFFFAOYSA-N.

Identity
Molecular formulaC39H37N3O13S2
Molecular weight819.9 g/mol
IUPAC name5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[6,7,7,19,19,20-hexamethyl-9,17-bis(sulfomethyl)-2-oxonia-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5(10),8,11,13,15,17,21-nonaen-13-yl]benzoate
InChIKeyKWHCBZDWVYWWLE-UHFFFAOYSA-N
SMILESCC1(C=C(C2=CC3=C(C4=CC5=C(C=C4[O+]=C3C=C2N1C)N(C(C=C5CS(=O)(=O)O)(C)C)C)C6=C(C=C(C=C6)C(=O)ON7C(=O)CCC7=O)C(=O)[O-])CS(=O)(=O)O)C

Computed by PubChem (NCBI)

Synonyms: orb3029013

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