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Screening compounds

Mepenzolate bromide, (+)-

Also known as Mepenzolate bromide, (S)-, (3S)-3-[(2-Hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium bromide, Piperidinium, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-, bromide, (3S)-

CAS 92842-82-5Formula C21H26BrNO3Molar mass 420.35 g/mol
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Mepenzolate bromide, (+)- chemical structure, C21H26BrNO3, CAS 92842-82-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
92842-82-5
Formula
C21H26BrNO3
Molar mass
420.35 g/mol
HS code
293339
Category
Screening compounds

What is Mepenzolate bromide, (+)-?

Plain description, key identifiers and synonyms

Mepenzolate bromide, (+)- is a chemical substance with the molecular formula C21H26BrNO3 and a molar mass of 420.35 g/mol. Its CAS registry number is 92842-82-5. The IUPAC name is [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CAS number
92842-82-5
Molecular formula
C21H26BrNO3
UNII
L8R5E84K76
InChIKey
JRRNZNSGDSFFIR-FYZYNONXSA-M
InChI
InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1/t19-;/m0./s1
Canonical SMILES
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]
Isomeric SMILES
C[N+]1(CCC[C@@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]

Synonyms

  • Mepenzolate bromide, (S)-
  • (3S)-3-[(2-Hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium bromide
  • Piperidinium, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-, bromide, (3S)-

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
420.35 g/molcalc.
Exact mass
419.1096 Dacalc.
LogP (octanol/water)
-0.29calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
2calc.
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(OC1CCCNC1)C(c1ccccc1)c1ccccc1

O=C(OC1CCCNC1)C(c1ccccc1)c1ccccc1

3 rings, 22 atoms.

22 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.

Mepenzolate bromide, (+)- suppliers

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Mepenzolate bromide, (+)- 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

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 Mepenzolate bromide, (+)- 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 Mepenzolate bromide, (+)- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Mepenzolate bromide, (+)-?

Mepenzolate bromide, (+)- is a chemical substance with the molecular formula C21H26BrNO3 and a molar mass of 420.35 g/mol. Its CAS registry number is 92842-82-5. The IUPAC name is [(3S)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide.

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

The CAS registry number of Mepenzolate bromide, (+)- is 92842-82-5.

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

The molecular formula of Mepenzolate bromide, (+)- is C21H26BrNO3 and its molar mass is 420.35 g/mol.

What is Mepenzolate bromide, (+)- used for?

Known uses and roles of Mepenzolate bromide, (+)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mepenzolate bromide, (+)- hazardous?

No GHS hazard classification for Mepenzolate bromide, (+)- 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 Mepenzolate bromide, (+)-?

Mepenzolate bromide, (+)- 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 Mepenzolate bromide, (+)-?

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What is the price of Mepenzolate bromide, (+)-?

Suppliers quote Mepenzolate bromide, (+)- 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 Mepenzolate bromide, (+)-

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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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