BP Fluor 546 DBCO

cas: 2762752-63-4 — see every product listed under this CAS number, including other names

BP Fluor 546 DBCO (CAS 2762752-63-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2762752-63-4
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Structural formula: {0} (CAS {1})

13-[5-[2-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-2-carboxy-3,4,6-trichlorophenyl]-7,7,9,17,19,19-hexamethyl-22-sulfo-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaene-4-sulfonate (CAS 2762752-63-4) is a chemical compound with the molecular formula C52H47Cl3N4O11S3 and a molecular weight of 1106.5 g/mol. IUPAC name: 13-[5-[2-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-2-carboxy-3,4,6-trichlorophenyl]-7,7,9,17,19,19-hexamethyl-22-sulfo-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaene-4-sulfonate. InChIKey: JVEBSIZOSZJGCF-UHFFFAOYSA-N.

Identity
Molecular formulaC52H47Cl3N4O11S3
Molecular weight1106.5 g/mol
IUPAC name13-[5-[2-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-2-carboxy-3,4,6-trichlorophenyl]-7,7,9,17,19,19-hexamethyl-22-sulfo-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaene-4-sulfonate
InChIKeyJVEBSIZOSZJGCF-UHFFFAOYSA-N
SMILESCC1CC(NC2=C(C3=C(C=C12)C(=C4C=C5C(CC([NH+]=C5C(=C4O3)S(=O)(=O)O)(C)C)C)C6=C(C(=C(C(=C6Cl)SCC(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)Cl)Cl)C(=O)O)S(=O)(=O)[O-])(C)C

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