A524905

cas: 878549-45-2 — see every product listed under this CAS number, including other names

A524905 (CAS 878549-45-2) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-A524905-25MG
cas878549-45-2
size25mg
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properties

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Structural formula: {0} (CAS {1})

5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoic acid (CAS 878549-45-2) is a chemical compound with the molecular formula C37H33N3O13S2 and a molecular weight of 791.8 g/mol. IUPAC name: 5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoic acid. InChIKey: DJLBKHHGFYXTRY-UHFFFAOYSA-N.

Identity
Molecular formulaC37H33N3O13S2
Molecular weight791.8 g/mol
IUPAC name5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-[7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoic acid
InChIKeyDJLBKHHGFYXTRY-UHFFFAOYSA-N
SMILESCC1(C=C(C2=CC3=C(C=C2N1)OC4=CC5=NC(C=C(C5=CC4=C3C6=C(C=C(C=C6)C(=O)ON7C(=O)CCC7=O)C(=O)O)CS(=O)(=O)O)(C)C)CS(=O)(=O)O)C

Computed by PubChem (NCBI)