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Screening compounds

Cisapride monohydrate

Also known as Cisapride monohydrate [Orange Book], Cisapride hydrate, Acenalin

Formula C23H31ClFN3O5Molar mass 483.97 g/mol
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Cisapride monohydrate chemical structure, C23H31ClFN3O5
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C23H31ClFN3O5
Molar mass
483.97 g/mol
HS code
293339
Category
Screening compounds

What is Cisapride monohydrate?

Plain description, key identifiers and synonyms

Cisapride monohydrate is a chemical substance with the molecular formula C23H31ClFN3O5 and a molar mass of 483.97 g/mol. The IUPAC name is 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide, hydrate
Molecular formula
C23H31ClFN3O5
UNII
VZV0A4I38W
InChIKey
QBYYXIDJOFZORM-LBPAWUGGSA-N
InChI
InChI=1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29);1H2/t20-,22+;/m1./s1
Canonical SMILES
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC.O
Isomeric SMILES
CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O

Synonyms

  • Cisapride monohydrate [Orange Book]
  • Cisapride hydrate
  • Acenalin
  • (R,S)-Cisapride monohydrate
  • Propulsin
  • Risamol
  • Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis monohydrate
  • 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide, hydrate
  • Benzamide, 4-amino-5-chloro-N-((3R,4S)-1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, hydrate (1:1), rel-
  • Cisapride (monohydrate)
  • Cisapride
  • Cisapride hydrate (1:1)
  • 4-Amino-5-chloro-N-{(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide--water (1/1)

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
483.97 g/molcalc.
Exact mass
483.1936 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
117.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
2calc.
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(NC1CCN(CCCOc2ccccc2)CC1)c1ccccc1

O=C(NC1CCN(CCCOc2ccccc2)CC1)c1ccccc1

3 rings, 25 atoms.

18 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.

Cisapride monohydrate suppliers

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

Frequently asked questions

Quick answers about Cisapride monohydrate, based on the data on this page

What is Cisapride monohydrate?

Cisapride monohydrate is a chemical substance with the molecular formula C23H31ClFN3O5 and a molar mass of 483.97 g/mol. The IUPAC name is 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide, hydrate.

What is the molecular formula and weight of Cisapride monohydrate?

The molecular formula of Cisapride monohydrate is C23H31ClFN3O5 and its molar mass is 483.97 g/mol.

What is Cisapride monohydrate used for?

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

Is Cisapride monohydrate hazardous?

No GHS hazard classification for Cisapride monohydrate 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 Cisapride monohydrate?

Cisapride monohydrate 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 Cisapride monohydrate?

CompoundList lists 1 supplier of Cisapride monohydrate in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Cisapride monohydrate in India?

1 supplier in India list Cisapride monohydrate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Cisapride monohydrate?

Suppliers quote Cisapride monohydrate 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

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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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