≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Hydroxy Bupropion is a major metabolite of the dopamine transport inhibitor and nicotinic antagonist bupropion . Hydroxy bupropion is formed by hydroxylation of bupropion on the tert-butyl group and cyclizes to an acetal. This is a racemic preparation of the R,R-hydroxy bupropion and S,S-hydroxy bupropion isomers.
| Pubchem Sid | 504764949 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764949 |
| Canonical Smiles | CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O |
| IUPAC Name | 2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol |
| InChIKey | RCOBKSKAZMVBHT-UHFFFAOYSA-N |
| INCHI | 1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3 |
| Isomeric SMILES | CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O |
| Molecular Weight | 255.74 |
| Reaxy-Rn | 10540649 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10540649&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Chlorobenzenes Aralkylamines Aryl chlorides Hemiacetals Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Hemiacetal - Oxacycle - Azacycle - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C23081391 | Certificate of Analysis | Dec 10, 2025 | H341159 |
| C23081400 | Certificate of Analysis | Dec 10, 2025 | H341159 |
| B2419165 | Certificate of Analysis | Nov 29, 2022 | H341159 |
| L2416782 | Certificate of Analysis | Nov 29, 2022 | H341159 |
| Solubility | Soluble in Acetone, Acetonitrile and Ethyl Acetate |
|---|---|
| Molecular Weight | 255.740 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 255.103 Da |
| Monoisotopic Mass | 255.103 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zifei Qin, Peile Wang, Shuyi Duan, Xiaoying Wan, Han Xing, Jing Yang, Xiaojian Zhang, Zhihong Yao, Xinsheng Yao. (2021) Potential Determinants for Metabolic Fates and Inhibitory Effects of Isobavachalcone Involving in Human Cytochrome P450, UDP-Glucuronosyltransferase Enzymes, and Efflux Transporters. JOURNAL OF PHARMACEUTICAL SCIENCES, [PMID:33610566] [10.1016/j.xphs.2021.02.013] |
| 2. Xinqiang Li, Han Xing, Zifei Qin, Jing Yang, Peile Wang, Xiaojian Zhang, Zhihong Yao, Xinsheng Yao. (2020) Potential metabolism determinants and drug–drug interactions of a natural flavanone bavachinin. RSC Advances, 10 (58): (35141-35152). [PMID:35515695] [10.1039/D0RA06961B] |
| 3. Xing Han, Yang Jing, Ren Kaidi, Qin Zifei, Wang Peile, Zhang Xiaojian, Yao Zhihong, Gonzalez Frank J, Yao Xinsheng. (2020) Investigation on the metabolic characteristics of isobavachin in Psoralea corylifolia L. (Bu-gu-zhi) and its potential inhibition against human cytochrome P450s and UDP-glucuronosyltransferases. JOURNAL OF PHARMACY AND PHARMACOLOGY, 72 (12): (1865-1878). [PMID:32750744] [10.1111/jphp.13337] |
| 4. Qin Zifei, Jia Mengmeng, Yang Jing, Xing Han, Yin Zhao, Yao Zhihong, Zhang Xiaojian, Yao Xinsheng. (2020) Multiple circulating alkaloids and saponins from intravenous Kang-Ai injection inhibit human cytochrome P450 and UDP-glucuronosyltransferase isozymes: potential drug–drug interactions. Chinese Medicine, 15 (1): (1-18). [PMID:32655683] [10.1186/s13020-020-00349-3] |
