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5-Chloro Bupropion-[d9] Fumarate

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General Information
Catalog: BLP-003009
CAS: 1346606-75-4
Molecular Formula: C17H12D9Cl2NO5
Molecular Weight: 399.31

Chemical Structure

Description	5-Chloro Bupropion-[d9] Fumarate is the labelled salt of 5-Chloro Bupropion, which is the analogue of Bupropion. Bupropion is an aminoketone antidepressant that is widely used in therapy of depression and smoking cessation.
Synonyms	5-Chloro Bupropion-d9 Fumarate; 1-(3,5-Dichlorophenyl)-2-[(1,1-dimethylethyl-d9)amino]-1-propanone (2E)-2-Butenedioate
IUPAC Name	(E)-but-2-enedioic acid;1-(3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
Related CAS	1193779-50-8 (unlabelled)
Canonical SMILES	CC(C(=O)C1=CC(=CC(=C1)Cl)Cl)NC(C)(C)C.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C13H17Cl2NO.C4H4O4/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9;5-3(6)1-2-4(7)8/h5-8,16H,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i2D3,3D3,4D3;
InChI Key	MGHPTSVYSLXGEG-SJRNJJABSA-N