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4-Chloro Bupropion-[d9] Fumarate

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General Information
Catalog: BLP-002866
CAS: 1346606-37-8
Molecular Formula: C17H12D9Cl2NO5
Molecular Weight: 399.31

Chemical Structure

Description	4-Chloro Bupropion-[d9] Fumarate is the labelled salt of 4-Chloro Bupropion. 4-Chloro Bupropion is the analogue of Bupropion. Bupropion is an aminoketone antidepressant that is widely used in therapy of depression and smoking cessation.
Synonyms	4-Chloro Bupropion-d9 Fumarate; 1-(3,4-Dichlorophenyl)-2-[(1,1-dimethylethyl-d9)amino]-1-propanone (2E)-2-Butenedioate
IUPAC Name	(E)-but-2-enedioic acid;1-(3,4-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
Related CAS	1193779-36-0 (unlabelled)
Canonical SMILES	CC(C(=O)C1=CC(=C(C=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)9-5-6-10(14)11(15)7-9;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	CUZCRYZSIOLYOO-SJRNJJABSA-N
Melting Point	192-195 °C (dec.)
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	2-8 °C