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Home/Compounds/CAS 138112-76-2
Formula C15H17NO2MW 243.3Research-use catalog entryCOA/SDS by request

Agomelatine

CAS Number: 138112-76-2

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Available Options

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1 g
Purity
98%
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25 g
Purity
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Purity
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Loading RDKit molecule structure...
InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-NC15H17NO2 | MW 243.3

Chemical Absolute Identifiers

CAS Number

138112-76-2

PubChem CID

82148

Molecular Formula

C15H17NO2

Molecular Weight

243.3 g/mol

Exact Mass

243.125929

InChIKey

YJYPHIXNFHFHND-UHFFFAOYSA-N

IUPAC Name

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

SMILES String

CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Agomelatine (CAS 138112-76-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C15H17NO2 and molecular weight 243. 30 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Melatonin receptor type 1B (Homo sapiens) — 28 assays; Melatonin receptor type 1A (Homo sapiens) — 28 assays; 5-hydroxytryptamine receptor 2C (Homo sapiens) — 6 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 3 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Melatonin receptor type 1B

Homo sapiens · SINGLE PROTEIN · 28 qualifying assays · 14 documents · best pChEMBL 10.38

Experimental evidence source: ChEMBL

Melatonin receptor type 1A

Homo sapiens · SINGLE PROTEIN · 28 qualifying assays · 15 documents · best pChEMBL 10.22

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2C

Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 5 documents · best pChEMBL 6.2

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.06

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide, nitrogen oxides.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution with a waste disposal license to handle this substance.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus during firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Agomelatine

Names & Synonyms

ThymanaxValdoxanS 20098AgomelatinaN-(2-(7-methoxy-1-naphthyl)ethyl)acetamide
Show all synonyms
N-[2-(7-methoxy-1-naphthyl)ethyl]acetamideagomelatinumN-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetamideAgomelatine [INN]Acetamide, N-[2-(7-methoxy-1-naphthalenyl)ethyl]-N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamideN-(2-(7-Methoxy-1-naphthalenyl)ethyl)acetamideN-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamideAgomelatine (INN)MelitorN-[2-(7-Methoxynaphth-1-Yl)Ethyl]AcetamideAGO 178Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide
External Identifiers
EC NUMBER: 629-727-7DSSTOX SUBSTANCE ID: DTXSID3057642CHEMBL ID: CHEMBL10878CHEBI ID: CHEBI:134990UNII: 137R1N49ADDRUGBANK ID: DB06594HMDB ID: HMDB0015636KEGG ID: D02578METABOLOMICS WORKBENCH ID: 43671NCI THESAURUS CODE: C72684PHARMGKB ID: PA165958363WIKIDATA ID: Q395229
Experimental Spectrum References
ATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral ResearchRaman Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1016/j.ejmech.2023.115152Development of indolealkylamine derivatives as potential multi-target agents for COVID-19 treatment.DOI 10.1016/j.ejmech.2023.115888The location, physiology, pathology of hippocampus Melatonin MT<sub>2</sub> receptor and MT<sub>2</sub>-selective modulators.DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 36724633Development of indolealkylamine derivatives as potential multi-target agents for COVID-19 treatment.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37866336The location, physiology, pathology of hippocampus Melatonin MT<sub>2</sub> receptor and MT<sub>2</sub>-selective modulators.DOI 10.1039/d2md00156jSynthesis and biological evaluation of paeoveitol D derivatives as new melatonin receptor agonists with antidepressant activities.PMID 36325395Synthesis and biological evaluation of paeoveitol D derivatives as new melatonin receptor agonists with antidepressant activities.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

2-(7-Methoxynaphthalen-1-yl)acetic acidCAS 6836-22-2
2-(7-Methoxynaphthalen-1-yl)acetamideCAS 138113-07-2
2-(7-Methoxynaphthalen-1-yl)ethan-1-amine hydrochlorideCAS 139525-77-2
7-Methoxy-1-naphthaleneacetic acid ethyl esterCAS 6836-21-1
1-(7-Methoxynaphthalen-1-yl)ethan-1-oneCAS 3453-55-2

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 6836-22-22-(7-Methoxynaphthalen-1-yl)acetic acidCAS 138113-07-22-(7-Methoxynaphthalen-1-yl)acetamideCAS 139525-77-22-(7-Methoxynaphthalen-1-yl)ethan-1-amine hydrochlorideCAS 6836-21-17-Methoxy-1-naphthaleneacetic acid ethyl esterCAS 3453-55-21-(7-Methoxynaphthalen-1-yl)ethan-1-oneCAS 100643-71-8DesloratadineCAS 111974-69-7QuetiapineCAS 132539-06-1OlanzapineCAS 102767-28-2LevetiracetamCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

RFQ questions for CAS 138112-76-2

What are the key identifiers for Agomelatine (CAS 138112-76-2)?

Agomelatine is identified by CAS 138112-76-2, with molecular formula C15H17NO2, molecular weight 243.3, InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N.

Does CAS 138112-76-2 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Melatonin receptor type 1B, Melatonin receptor type 1A, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 2B, Alpha-1A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 138112-76-2?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Agomelatine?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 138112-76-2 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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