CHEBI:50161 - motexafin gadolinium

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ChEBI Name motexafin gadolinium ChEBI ID CHEBI:50161 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C52H72GdN5O14 Net Charge 0 Average Mass 1148.40338 Monoisotopic Mass 1148.43169 InChI InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;; InChIKey VAZLWPAHMORDGR-WRIGXHCHSA-L SMILES CCc1c(CC)c2C=C3C(CCCO)=C(C)C4=[N]3[Gd]356(OC(C)=O)(OC(C)=O)[N](=CC7=[N]3C(=Cc1n25)C(CCCO)=C7C)c1cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc1[N]6=C4 ChEBI Ontology Outgoing motexafin gadolinium (CHEBI:50161) is a gadolinium coordination entity (CHEBI:35730) motexafin gadolinium (CHEBI:50161) is a metallotexaphyrin (CHEBI:50179) Incoming motexafin gadolinium hydrate (CHEBI:50162) has part motexafin gadolinium (CHEBI:50161) IUPAC Name bis(acetato-κO){3,3'-[4,5-diethyl-16,17-bis{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1,3,5,7,9,11(26),12,14,16,18,20,22(25),23-tridecaene-9,24-diyl-κ5N13,N20,N25,N26,N27]dipropan-1-olato}gadolinium Synonyms Sources (PB-7-11-233'2'4)-bis(acetato-κO)(9,10-diethyl-20,21-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-4,15-dimethyl-8,11-imino-3,6:16,13-dinitrilo-1,18-benzodiazacycloeicosine-5,14-dipropanolato-κN1,κN18,κN23,κN24,κN25)gadolinium ChemIDplus gadolinium texaphyrin ChemIDplus Gd texaphyrin ChemIDplus Gd-Tex ChemIDplus MGd ChEBI Brand Name Source Xcytrin ChemIDplus Manual Xref Database US2005159401 Patent View more database links Registry Numbers Types Sources 10643305 Beilstein Registry Number Beilstein 1458776 Gmelin Registry Number Gmelin 1760576 Gmelin Registry Number Gmelin 246252-06-2 CAS Registry Number ChemIDplus Citation Type Source 17112739 PubMed citation Europe PMC Last Modified 11 January 2010