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Desethyl chloroquine-[d5] diphosphate salt

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General Information
Catalog: BLP-002510
CAS: 1261397-17-4
Molecular Formula: C16H23D5ClN3O8P2
Molecular Weight: 492.8

Chemical Structure

Description	Desethyl chloroquine-[d5] diphosphate salt, is the labelled analogue of Desethyl chloroquine, which is a metabolite of Chloroquine. Chloroquine is a medication primarily used to prevent and treat malaria in areas where malaria remains sensitive to its effects.
Synonyms	Desethyl chloroquine D5 diphosphate salt
IUPAC Name	4-N-(7-chloroquinolin-4-yl)-1-N-(1,1,2,2,2-pentadeuterioethyl)pentane-1,4-diamine;phosphoric acid
Related CAS	247912-76-1 (unlabelled)
Canonical SMILES	CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
InChI	InChI=1S/C16H22ClN3.2H3O4P/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16;21-5(2,3)4/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20);2(H3,1,2,3,4)/i1D3,3D2;;
InChI Key	PIKNKEKUPZTKFZ-YGUSSJHCSA-N