Hydroxybupropion threo metabolite
Compound with spectra: 3 MS (GC)
| SpectraBase Compound ID | 5zRyTKKjeMq |
|---|---|
| InChI | InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1 |
| InChIKey | NDPTTXIBLSWNSF-SKDRFNHKSA-N |
| Mol Weight | 241.76 g/mol |
| Molecular Formula | C13H20ClNO |
| Exact Mass | 241.123342 g/mol |
| Enantiomer InChIKey | NDPTTXIBLSWNSF-JOYOIKCWSA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
- Erythrodihydrobupropion
- (1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
1,2-bis(3-chlorophenyl)ethane-1,2-diol
1-Phenyl-2-(1-phenylethylamino)propan-1-ol
(1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MINOR-DIASTEREOMER
(1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER
N-[2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]cyclohexanaminium chloride
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenylacetamide
2-(6'-(Chlorohex-5'-en-3'-yn-2'-ylamino)-1-phenylpropane-1,3-diol
This compound is available in the following databases:
KnowItAll Mass Spectral Library
Author: Wiley
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