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Impurities and reference standards

Lobeline, (+)-

Also known as (+)-Lobeline, 2-[(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone, Ethanone, 2-((2S,6R)-6-((2R)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-

CAS 246018-80-4Formula C22H27NO2Molar mass 337.46 g/mol
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Lobeline, (+)- chemical structure, C22H27NO2, CAS 246018-80-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
246018-80-4
Formula
C22H27NO2
Molar mass
337.46 g/mol
HS code
293339
Category
Impurities and reference standards

What is Lobeline, (+)-?

Plain description, key identifiers and synonyms

Lobeline, (+)- has been reported in Lobelia inflata, Lobelia siphilitica, and Hippobroma longiflora.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CAS number
246018-80-4Other or deprecated CAS: 134-65-6
Molecular formula
C22H27NO2
UNII
73BJ3LA259, 74SSN124VK
InChIKey
MXYUKLILVYORSK-QHAWAJNXSA-N
InChI
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1
Canonical SMILES
CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1
Isomeric SMILES
CN1[C@H](CCC[C@H]1CC(=O)C2=CC=CC=C2)C[C@H](C3=CC=CC=C3)O

Synonyms

  • (+)-Lobeline
  • 2-[(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
  • Ethanone, 2-((2S,6R)-6-((2R)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-
  • 2-{(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone
  • 2-((2S,6R)-6-((2R)-2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone
  • Lobelidine
  • (+/-)-Lobeline
  • Lobeline, (+/-)-
  • Lobeline (+/-)-form
  • Lobeline EP Impurity A
  • Ethanone, 2-((2R,6S)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-, rel-
  • 731823-86-2(HCl salt)
  • 2bys
  • 2-((2S,6R)-6-((R)-2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone
  • 2-((2S,6R)-6-((R)-2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one
  • LOB

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
337.46 g/molcalc.
Exact mass
337.2042 Dacalc.
LogP (octanol/water)
4.24calc.
Topological polar surface area
40.54 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CC1CCCC(CCc2ccccc2)N1)c1ccccc1

O=C(CC1CCCC(CCc2ccccc2)N1)c1ccccc1

3 rings, 23 atoms.

9 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Lobeline, (+)- suppliers

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Lobeline, (+)- price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lobeline, (+)- is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Lobeline, (+)- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lobeline, (+)-, based on the data on this page

What is Lobeline, (+)-?

Lobeline, (+)- has been reported in Lobelia inflata, Lobelia siphilitica, and Hippobroma longiflora.

What is the CAS number of Lobeline, (+)-?

The CAS registry number of Lobeline, (+)- is 246018-80-4. Other or deprecated CAS numbers: 134-65-6.

What is the molecular formula and weight of Lobeline, (+)-?

The molecular formula of Lobeline, (+)- is C22H27NO2 and its molar mass is 337.46 g/mol.

Is Lobeline, (+)- hazardous?

No GHS hazard classification for Lobeline, (+)- is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Lobeline, (+)-?

Lobeline, (+)- is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lobeline, (+)-?

Post a free request on CompoundList and suppliers of Lobeline, (+)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lobeline, (+)-?

Suppliers quote Lobeline, (+)- on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Lobeline, (+)-

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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