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Home/Compounds/CAS 518048-05-0
Formula C20H21FN6O5MW 444.4Research-use catalog entryCOA/SDS by request

Raltegravir

CAS Number: 518048-05-0

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Loading RDKit molecule structure...
InChIKey: CZFFBEXEKNGXKS-UHFFFAOYSA-NC20H21FN6O5 | MW 444.4

Chemical Absolute Identifiers

CAS Number

518048-05-0

PubChem CID

54671008

Molecular Formula

C20H21FN6O5

Molecular Weight

444.4 g/mol

Exact Mass

444.155746

InChIKey

CZFFBEXEKNGXKS-UHFFFAOYSA-N

IUPAC Name

N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

SMILES String

Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1

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

Raltegravir (CAS 518048-05-0) is listed in the Advanced Chemicals portfolio, with molecular formula C20H21FN6O5 and molecular weight 444. 40 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry 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

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) — 66 assays; Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) — 6 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Human immunodeficiency virus type 1 integrase

Human immunodeficiency virus 1 · SINGLE PROTEIN · 66 qualifying assays · 40 documents · best pChEMBL 8.7

Experimental evidence source: ChEMBL

Human immunodeficiency virus type 1 reverse transcriptase

Human immunodeficiency virus 1 · SINGLE PROTEIN · 6 qualifying assays · 6 documents

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Raltegravir

Names & Synonyms

raltegravirumMK 05184-Pyrimidinecarboxamide, N-((4-fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-
Show all synonyms
N-(2-(4-((4-fluorophenyl)methylcarbamoyl)-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide0518, MKRaltegravir (MK-0518)N-(2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamideRaltegravir (INN)RALTEGRAVIR [INN]N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamideIsentress(TM)N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]-1-methyl-ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamideRaltegravir [USAN:INN]Raltegravir?HSDB 8124N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamideRLT
External Identifiers
EC NUMBER: 610-733-3DSSTOX SUBSTANCE ID: DTXSID2048660CHEMBL ID: CHEMBL254316CHEBI ID: CHEBI:82960UNII: 22VKV8053UDRUGBANK ID: DB06817KEGG ID: D06676METABOLOMICS WORKBENCH ID: 144537NCI THESAURUS CODE: C72837PHARMGKB ID: PA164888966RXCUI: 719872WIKIDATA ID: Q421552
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116900A mini-review on integrase inhibitors: The cornerstone of next-generation HIV treatment.DOI 10.1021/acsmedchemlett.3c00373Novel Triazolopyridine-Based BRD4 Inhibitors as Potent HIV-1 Latency Reversing Agents.DOI 10.6019/CHEMBL5724581Toxicity screen in purified B cell assay results for EUbOPEN Chemogenomics LibraryPMID 38229757Novel Triazolopyridine-Based BRD4 Inhibitors as Potent HIV-1 Latency Reversing Agents.PMID 39332384A mini-review on integrase inhibitors: The cornerstone of next-generation HIV treatment.DOI 10.1016/j.bmc.2023.117239The protein disulfide isomerase inhibitor 3-methyltoxoflavin inhibits Chikungunya virus.DOI 10.1016/j.ejmech.2022.115035Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.DOI 10.1021/acs.jmedchem.3c01280Inhibiting HCMV pUL89-C Endonuclease with Metal-Binding Compounds.

Documentation & Compliance Facts

Compliance Facts

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Text Reference Cues

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Non-public related references

Methyl 5-methyl-1,3,4-oxadiazole-2-carboxylateCAS 37641-35-3
Ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylateCAS 37641-36-4
Potassium 5-methyl-1,3,4-oxadiazole-2-carboxylateCAS 888504-28-7
Ethyl 5-(tert-butyloxycarbonylaminomethyl)-[1,3,4]oxadiazole-2-carboxylateCAS 164029-51-0
2-(4-(Bromomethyl)phenyl)-5-methyl-1,3,4-oxadiazoleCAS 946409-17-2

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 269055-15-4EtravirineCAS 137234-62-9VoriconazoleCAS 171228-49-2PosaconazoleCAS 697761-98-1ElvitegravirCAS 1051375-16-6DolutegravirCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 518048-05-0

What are the key identifiers for Raltegravir (CAS 518048-05-0)?

Raltegravir is identified by CAS 518048-05-0, with molecular formula C20H21FN6O5, molecular weight 444.4, InChIKey CZFFBEXEKNGXKS-UHFFFAOYSA-N.

Does CAS 518048-05-0 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Human immunodeficiency virus type 1 integrase, Human immunodeficiency virus type 1 reverse transcriptase, Alpha-1A adrenergic receptor, Cytochrome P450 3A4, Muscarinic acetylcholine receptor M1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 518048-05-0?

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

Can I request supplier SDS for Raltegravir?

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Is CAS 518048-05-0 available for quotation?

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