Basic information
- CAS
192374-15-5- Standard SMILES
C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1- InChIKey
RCOBKSKAZMVBHT-RNCFNFMXSA-N- Molecular formula
- C13H18ClNO2
- Average molar mass
- 255.74 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol
- IUPAC
- (2R,3R)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
- English name
- (R,R)-Hydroxy Bupropion
- Molecular formula
- C13H18ClNO2
- Molecular weight
- 255.74
Names & synonyms
(2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinolRefChem:397484689-763-4(R,R)-Hydroxy Bupropion192374-15-5(2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-olCHEMBL11729292-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2R,3R)-Bupropion Morpholinol (2R,3R)-Isomer(r,r)-hydroxybupropion233600-52-7r,r-hydroxybupropion
Show more names
(2R,3R)-<span style=(R)-Hydroxybupropion(R,R)-Hydroxy Bupropion Hydrochloride
(2R,3R)-2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYLMORPHOLIN-2-OL HYDROCHLORIDESCHEMBL3154016SCHEMBL29751668DTXSID30870192DTXSID40433176RCOBKSKAZMVBHT-RNCFNFMXSA-N(-)-(2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinolBDBM50322531
Database identifiers
- CAS
192374-15-5、233600-52-7- PubChem CID
- 9943908
- DTXSID
DTXSID30870192- ChEMBL
CHEMBL1172929
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Bupropion
Physicochemical properties
- Melting point
- 117 · 117-119°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- Off-White to Light Beige
- Stability
- Hygroscopic
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Applications
Uses(R,R) Enantiomer metabolite of Bupropion (B689625), an antidepressant.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
18 records
Compound notes
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