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Screening compounds

Espatropate

Also known as espatropato, (R)-3-Quinuclidinyl (R)-alpha-(hydroxymethyl)-alpha-phenylimidazole-1-acetate, espatropatum

CAS 132829-83-5Formula C19H23N3O3Molar mass 341.41 g/mol
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Espatropate chemical structure, C19H23N3O3, CAS 132829-83-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
132829-83-5
Formula
C19H23N3O3
Molar mass
341.41 g/mol
HS code
293399
Category
Screening compounds

What is Espatropate?

Plain description, key identifiers and synonyms

Espatropate is a chemical substance with the molecular formula C19H23N3O3 and a molar mass of 341.41 g/mol. Its CAS registry number is 132829-83-5. The IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate
CAS number
132829-83-5
Molecular formula
C19H23N3O3
UNII
13MIU3750H
InChIKey
MDJOZYCYNUJABP-HKUYNNGSSA-N
InChI
InChI=1S/C19H23N3O3/c23-13-19(22-11-8-20-14-22,16-4-2-1-3-5-16)18(24)25-17-12-21-9-6-15(17)7-10-21/h1-5,8,11,14-15,17,23H,6-7,9-10,12-13H2/t17-,19-/m0/s1
Canonical SMILES
O=C(OC1CN2CCC1CC2)C(CO)(c1ccccc1)n1ccnc1
Isomeric SMILES
C1CN2CCC1[C@H](C2)OC(=O)[C@](CO)(C3=CC=CC=C3)N4C=CN=C4

Synonyms

  • espatropato
  • (R)-3-Quinuclidinyl (R)-alpha-(hydroxymethyl)-alpha-phenylimidazole-1-acetate
  • espatropatum
  • [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate

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
341.41 g/molcalc.
Exact mass
341.1739 Dacalc.
LogP (octanol/water)
1.26calc.
Topological polar surface area
67.59 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
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(OC1CN2CCC1CC2)C(c1ccccc1)n1ccnc1

O=C(OC1CN2CCC1CC2)C(c1ccccc1)n1ccnc1

5 rings, 23 atoms.

No other chemical in our database has 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.

Espatropate suppliers

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Espatropate 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 Espatropate 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 Espatropate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Espatropate, based on the data on this page

What is Espatropate?

Espatropate is a chemical substance with the molecular formula C19H23N3O3 and a molar mass of 341.41 g/mol. Its CAS registry number is 132829-83-5. The IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate.

What is the CAS number of Espatropate?

The CAS registry number of Espatropate is 132829-83-5.

What is the molecular formula and weight of Espatropate?

The molecular formula of Espatropate is C19H23N3O3 and its molar mass is 341.41 g/mol.

What is Espatropate used for?

Known uses and roles of Espatropate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Espatropate hazardous?

No GHS hazard classification for Espatropate 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 Espatropate?

Espatropate 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 Espatropate?

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What is the price of Espatropate?

Suppliers quote Espatropate 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 Espatropate

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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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