Bupropion

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Systematic / IUPAC Name: 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone

ID: Reference661

Other Names: 2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-one;
α-(tert-Butylamino)-m-chloropropiophenone;
1-Propanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-;
1-(3-Chlorophenyl)-2-[(1,1-dimethylethyl)amino]propan-1-one

Formula: C13H18ClNO

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Bupropion mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 355
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/29/2016 5:48:21 AM
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Identificators

InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChI Key SNPPWIUOZRMYNY-UHFFFAOYSA-N
Canonical SMILES CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
CAS 34841399
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Other Names 2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-one;
α-(tert-Butylamino)-m-chloropropiophenone;
1-Propanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-;
1-(3-Chlorophenyl)-2-[(1,1-dimethylethyl)amino]propan-1-one

In Other Databases

ChemSpider 431
ChemIDPlus 034841399; 034911552
Wikipedia Bupropion
ChEMBL CHEMBL894
DrugBank APRD00621
PubChem 444
ChEBI CHEBI:3219
KEGG C06860; D07591
HMDb HMDB01510