Basic information
- CAS
63990-84-1- Standard SMILES
CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.Cl- InChIKey
MKMYPTLXLWOUSO-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO2
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1808568
Names & identifiers
- Preferred name
- 2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone hydrochloride
- IUPAC
- 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride
- English name
- Lobeline Hydrochloride, 97%
- Molecular weight
- 0
Names & synonyms
2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone hydrochlorideDTXSID201036359RefChem:1061380DTXCID7015205552-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochlorideLobelin hydrochloride2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochlorideLobeline (hydrochloride)C22H28ClNO2L-LOBELINEMFCD000824552-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one hydrochloride
Show more names
Lobeline hydrochloride,97%
2-((2R,6S)-6-((S)-2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one hydrochlorideHSDB 3555SR-01000674047alpha-Lobeline (hydrochloride);L-Lobeline (hydrochloride)2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethan-1-one hydrochlorideLOBELINE HCIalpha-Lobeline HydrochclorideSCHEMBL467022
Database identifiers
- CAS
63990-84-1、90-69-7- PubChem CID
- 46202
- DTXSID
DTXSID201036359- ChEMBL
CHEMBL1321024
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Collision Cross Section186 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Hazardous Substances Data
- 63990 · 63990-84-1(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazardous Substances Data
- 63990-84-1(Hazardous Substances Data)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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