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Screening compounds

Saredutant

Also known as Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, saredutantum, N-((2S)-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidin-1-yl)butyl)-N-methylbenzamide

CAS 142001-63-6Formula C31H35Cl2N3O2Molar mass 552.55 g/molEC 604-266-4
GHS signal word: Warning. Pictograms: Serious health hazard 1 supplier listed
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Saredutant chemical structure, C31H35Cl2N3O2, CAS 142001-63-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
142001-63-6
Formula
C31H35Cl2N3O2
Molar mass
552.55 g/mol
EC number
604-266-4
HS code
293339
Category
Screening compounds

What is Saredutant?

Plain description, key identifiers and synonyms

Saredutant is an antagonist.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CAS number
142001-63-6 CAS number cross-checked
EC number
604-266-4
Molecular formula
C31H35Cl2N3O2
UNII
720U2QK8I5
InChIKey
PGKXDIMONUAMFR-AREMUKBSSA-N
InChI
InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
Canonical SMILES
CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Isomeric SMILES
CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Synonyms

  • Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-
  • saredutantum
  • N-((2S)-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidin-1-yl)butyl)-N-methylbenzamide
  • [3H]saredutant
  • N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
  • (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide
  • SR 48968, SR 48968C
  • [3H]SR48968
  • [3H]-SR49868
  • [3H]SR48,968
  • N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide
  • PDSP1_000659
  • PDSP2_000650
  • (S)-N-(4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl)-N-methylbenzamide
  • Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)-
  • SR 48,968
  • N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
  • N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide

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
552.55 g/molcalc.
Exact mass
551.2106 Dacalc.
LogP (octanol/water)
6.37calc.
Topological polar surface area
52.65 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
1calc.
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(NCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)c1ccccc1

O=C(NCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)c1ccccc1

4 rings, 31 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (3)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P319Get medical help if you feel unwell.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Saredutant suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • AChemBlock
    United States, HaywardUnclaimed profile
    SaredutantGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Saredutant 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

Roles

  • antagonist

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

Frequently asked questions

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

What is Saredutant?

Saredutant is an antagonist.

What is the CAS number of Saredutant?

The CAS registry number of Saredutant is 142001-63-6.

What is the molecular formula and weight of Saredutant?

The molecular formula of Saredutant is C31H35Cl2N3O2 and its molar mass is 552.55 g/mol.

What is Saredutant used for?

Known uses and roles of Saredutant include building blocks in research and laboratory, screening compounds in research and laboratory and antagonist.

Is Saredutant hazardous?

Saredutant carries the GHS signal word "Warning". Main hazards: may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Saredutant?

Saredutant 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 Saredutant?

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

What is the price of Saredutant?

Suppliers quote Saredutant 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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