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motexafin gadolinium (CHEBI:50161)

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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
See structure as:  Image  Applet
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Formula Source
C52H72GdN5O14 ChEBI
Net Charge 0
Average Mass 1148.40338
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-κN1N18N23N24N25)gadolinium ChemIDplus
gadolinium texaphyrin ChemIDplus
Gd texaphyrin ChemIDplus
Gd-Tex ChemIDplus
MGd ChEBI
Brand Name Source
Xcytrin ChemIDplus
Database Link 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 Waiting for Citations Type Source
17112739 PubMed citation CiteXplore
Last Modified
11 enero 2010

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