CHEBI:6447 - levothyroxine sodium hydrate

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ChEBI Name levothyroxine sodium hydrate
ChEBI ID CHEBI:6447
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H10I4NO4.Na.H2O
Net Charge 0
Average Mass 816.86717
Monoisotopic Mass 816.67920
InChI InChI=1S/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/p-1/t12-;;/m0../s1
InChIKey ANMYAHDLKVNJJO-LTCKWSDVSA-M
SMILES O.[Na+].N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing levothyroxine sodium hydrate (CHEBI:6447) is a organic molecular entity (CHEBI:50860)
Manual Xrefs Databases
D01010 KEGG DRUG
DB00451 DrugBank
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Registry Number Type Source
25416-65-3 CAS Registry Number ChemIDplus
Last Modified
04 November 2008