5-ChloroBupropion-d9Fumarate
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Basic information
- CAS
1346606-75-4- Standard SMILES
CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1.O=C(O)C=CC(=O)O- InChIKey
MGHPTSVYSLXGEG-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2NO5
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.0796782
Names & identifiers
- Preferred name
- 5-ChloroBupropion-d9Fumarate
- IUPAC
- but-2-enedioic acid;2-(tert-butylamino)-1-(3,5-dichlorophenyl)propan-1-one
- English name
- 5-Chloro Bupropion-d9 FuMarate
- Molecular formula
- C17H21Cl2NO5
- Molecular weight
- 390.26
Names & synonyms
5-ChloroBupropion-d9FumarateWDC606755-Chloro Bupropion-d9 FuMarate1-(3,5-Dichlorophenyl)-2-[(1,1-diMethylethyl-d9)aMino]-1-propanone (2E)-2-Butenedioate
Database identifiers
- CAS
1346606-75-4- PubChem CID
- 92017737
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 384
Chemistry & industry
Applications
UsesA deuterated 5-chloro Bupropion (B689625) analogue used in the preparation of compounds for indirect dopamine agonist pharmacotherapy for treating cocaine, methamphetamine, nicotine, and other drugs of abuse addiction.
UsesAs a deuterated 5-chloro Buproprion (B689625) analogue, 5-Chloro Bupropion-d9 FuMarate can be used in the preparation of compounds for indirect dopamine agonist pharmacotherapy for treating cocaine, methamphetamine, nicotine, and other drugs of abuse addiction.
Related reactions
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Compound notes
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