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Home/Compounds/CAS 845533-86-0
Formula C36H35BrN2O6MW 671.6Research-use catalog entryCOA/SDS by request

Bedaquiline Fumarate

CAS Number: 845533-86-0

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Loading RDKit molecule structure...
InChIKey: ZLVSPMRFRHMMOY-WWCCMVHESA-NC36H35BrN2O6 | MW 671.6

Chemical Absolute Identifiers

CAS Number

845533-86-0

PubChem CID

24812732

Molecular Formula

C36H35BrN2O6

Molecular Weight

671.6 g/mol

Exact Mass

670.16785

InChIKey

ZLVSPMRFRHMMOY-WWCCMVHESA-N

IUPAC Name

(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol;(E)-but-2-enedioic acid

SMILES String

COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O

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

Bedaquiline Fumarate (CAS 845533-86-0) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C36H35BrN2O6 and molecular weight 671. 60 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

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

Bedaquiline Fumarate

Names & Synonyms

SirturoBedaquiline (fumarate)Bedaquiline fumarate [USAN](1R,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol fumarateBedaquiline Fumarate salt
Show all synonyms
Bedaquilinefumarate845533-86-0 (fumarate)Sirturo (TN)Bedaquiline fumarate?C36H35BrN2O6BEDAQUILINE FUMARATE [MI]Bedaquiline fumarate (JAN/USAN)Bedaquiline (fumarate) (Standard)BEDAQUILINE FUMARATE [JAN]s4854BEDAQUILINE FUMARATE [WHO-DD](1R,2S)-1-(6-Bromo-2-methoxy-3-quinolyl)-4-dimethylamino-2-(1-naphthyl)-1-phenyl-butan-2-ol fumarateBEDAQUILINE FUMARATE [ORANGE BOOK]R 403323(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol bis[(2Z)-but-2-enedioate]
External Identifiers
EC NUMBER: 805-637-5DSSTOX SUBSTANCE ID: DTXSID401004837CHEMBL ID: CHEMBL2105700CHEBI ID: CHEBI:72295UNII: P04QX2C1A5KEGG ID: D09873NCI THESAURUS CODE: C142949RXCUI: 1364503WIKIDATA ID: Q27139886
Literature & Patent References
DOI 10.1101/2020.04.21.054387Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2

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

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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

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Non-public related references

Ethanone, 2-(6-bromo-2-methoxy-3-quinolinyl)-1-(1-naphthalenyl)-2-phenyl-, (2R)-CAS 1298044-25-3
(betaR)-6-Bromo-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanolCAS 1298044-24-2
3-Benzyl-6-bromo-2-methoxyquinolineCAS 654655-69-3
3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-oneCAS 10320-49-7
3-Benzyl-6-bromo-2-chloroquinolineCAS 654655-68-2

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 1298044-25-3Ethanone, 2-(6-bromo-2-methoxy-3-quinolinyl)-1-(1-naphthalenyl)-2-phenyl-, (2R)-CAS 1298044-24-2(betaR)-6-Bromo-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanolCAS 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 acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 845533-86-0

What are the key identifiers for Bedaquiline Fumarate (CAS 845533-86-0)?

Bedaquiline Fumarate is identified by CAS 845533-86-0, with molecular formula C36H35BrN2O6, molecular weight 671.6, InChIKey ZLVSPMRFRHMMOY-WWCCMVHESA-N.

Can I request a COA for CAS 845533-86-0?

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

Can I request supplier SDS for Bedaquiline Fumarate?

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