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Heterocyclic compounds

Palerol comp.

Also known as Dipyrone / piperylone / tropenzilium bromide

CAS 76515-03-2Formula C54H69BrN7NaO9SMolar mass 1,095.15 g/mol
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Palerol comp. chemical structure, C54H69BrN7NaO9S, CAS 76515-03-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76515-03-2
Formula
C54H69BrN7NaO9S
Molar mass
1,095.15 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Palerol comp.?

Plain description, key identifiers and synonyms

Palerol comp. is a chemical substance with the molecular formula C54H69BrN7NaO9S and a molar mass of 1,095.15 g/mol. Its CAS registry number is 76515-03-2. The IUPAC name is sodium, [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate, 4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one, (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate, bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium, [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate, 4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one, (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate, bromide
CAS number
76515-03-2
Molecular formula
C54H69BrN7NaO9S
InChIKey
WKCGRFVAKGIZTB-UHFFFAOYSA-L
InChI
InChI=1S/C24H30NO4.C17H23N3O.C13H17N3O4S.BrH.Na/c1-25(2)19-14-20(16-21(25)22(15-19)28-3)29-23(26)24(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18;1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-13,19-22,27H,14-16H2,1-3H3;4-8,14,18H,3,9-12H2,1-2H3;4-8H,9H2,1-3H3,(H,18,19,20);1H;/q+1;;;;+1/p-2
SMILES (canonical and isomeric)
CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Na+].[Br-]

Synonyms

  • Dipyrone / piperylone / tropenzilium bromide

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
1,095.15 g/molcalc.
Exact mass
1,093.3959 Dacalc.
LogP (octanol/water)
-0.04calc.
Topological polar surface area
184.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
12calc.
Heavy atoms
73calc.
Rings
9calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
5calc.
Lipinski rule of five
Fails (2 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(OC1CC2CCC(C1)N2)C(c1ccccc1)c1ccccc1

O=C(OC1CC2CCC(C1)N2)C(c1ccccc1)c1ccccc1

4 rings, 24 atoms.

36 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.

Palerol comp. suppliers

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Palerol comp. 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 Palerol comp. is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Palerol comp., based on the data on this page

What is Palerol comp.?

Palerol comp. is a chemical substance with the molecular formula C54H69BrN7NaO9S and a molar mass of 1,095.15 g/mol. Its CAS registry number is 76515-03-2.

What is the CAS number of Palerol comp.?

The CAS registry number of Palerol comp. is 76515-03-2.

What is the molecular formula and weight of Palerol comp.?

The molecular formula of Palerol comp. is C54H69BrN7NaO9S and its molar mass is 1,095.15 g/mol.

Is Palerol comp. hazardous?

No GHS hazard classification for Palerol comp. 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 Palerol comp.?

Palerol comp. is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Palerol comp.?

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What is the price of Palerol comp.?

Suppliers quote Palerol comp. 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 Palerol comp.

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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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