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Home/Compounds/CAS 134308-13-7
Formula C14H11NO5MW 273.24Research-use catalog entryCOA/SDS by request

Tolcapone

CAS Number: 134308-13-7

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Loading RDKit molecule structure...
InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-NC14H11NO5 | MW 273.24

Chemical Absolute Identifiers

CAS Number

134308-13-7

PubChem CID

4659569

Molecular Formula

C14H11NO5

Molecular Weight

273.24 g/mol

Exact Mass

273.063722

InChIKey

MIQPIUSUKVNLNT-UHFFFAOYSA-N

IUPAC Name

(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone

SMILES String

Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1

Physical Properties

Water Solubility

0.0569 g/L

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

Catalog Facts

Structural features

Tolcapone (CAS 134308-13-7) is listed in the Advanced Chemicals portfolio, with molecular formula C14H11NO5 and molecular weight 273. 24 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

Organic 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: Catechol O-methyltransferase (Rattus norvegicus) — 31 assays; Transthyretin (Homo sapiens) — 38 assays; Catechol O-methyltransferase (Homo sapiens) — 6 assays; Genome polyprotein (dengue virus type 2) — 7 assays; Progesterone receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Catechol O-methyltransferase

Rattus norvegicus · SINGLE PROTEIN · 31 qualifying assays · 6 documents · best pChEMBL 9.04

Experimental evidence source: ChEMBL

Transthyretin

Homo sapiens · SINGLE PROTEIN · 38 qualifying assays · 4 documents · best pChEMBL 7.69

Experimental evidence source: ChEMBL

Catechol O-methyltransferase

Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 6 documents · best pChEMBL 6.9

Experimental evidence source: ChEMBL

Genome polyprotein

dengue virus type 2 · SINGLE PROTEIN · 7 qualifying assays · 3 documents · best pChEMBL 6.19

Experimental evidence source: ChEMBL

Progesterone receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.96

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

Tolcapone

Names & Synonyms

Tasmar3,4-Dihydroxy-4'-methyl-5-nitrobenzophenoneRo 40-7592(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanoneMethanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
Show all synonyms
Tolcapona5-(4-methylbenzoyl)-3-nitrobenzene-1,2-diol3,4-dihydroxy-5-nitro-4'-methylbenzophenone4'-methyl-3,4-dihydroxy-5-nitrobenzophenone5-((4-methylphenyl)carbonyl)-3-nitrobenzene-1,2-diolTolcaponum5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOLRo 407592Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-Ro 40 75923,4 Dihydroxy 5' methyl 5 nitrobenzophenone
External Identifiers
EC NUMBER: 694-343-9DSSTOX SUBSTANCE ID: DTXSID3023685CHEMBL ID: CHEMBL1324CHEBI ID: CHEBI:63630UNII: CIF6334OLYDRUGBANK ID: DB00323HMDB ID: HMDB0014468KEGG ID: C07949KEGG ID: D00786METABOLOMICS WORKBENCH ID: 42708NCI THESAURUS CODE: C47762PHARMGKB ID: PA451720RXCUI: 72937WIKIDATA ID: Q413840Ro-40-7592Ro-407592Ro407592
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c01682Discovery of a Potent, Selective, and Blood-Brain Barrier Permeable Non-nitrocatechol Inhibitor of Catechol-<i>O</i>-methyltransferase.PMID 39374514Discovery of a Potent, Selective, and Blood-Brain Barrier Permeable Non-nitrocatechol Inhibitor of Catechol-<i>O</i>-methyltransferase.DOI 10.1016/j.ejmech.2023.115837PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37837673PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.DOI 10.1016/j.ejmech.2022.114740Boosting caffeic acid performance as antioxidant and monoamine oxidase B/catechol-O-methyltransferase inhibitor.DOI 10.1021/acs.jmedchem.2c01195Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.

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

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Non-public related references

4-Chloro-3-nitrobenzophenoneCAS 56107-02-9
4-Amino-3-nitrobenzophenoneCAS 31431-19-3
Methyl 4-iodo-3-nitrobenzoateCAS 89976-27-2
4-Isopropoxy-4'-nitrobenzophenoneCAS 221532-00-9
4-Iodo-3-nitrotolueneCAS 5326-39-6

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 56107-02-94-Chloro-3-nitrobenzophenoneCAS 31431-19-34-Amino-3-nitrobenzophenoneCAS 134612-80-93-O-MethyltolcaponeCAS 55142-85-3TiclopidineCAS 84625-61-6ItrizoleCAS 132539-06-1OlanzapineCAS 21829-25-4NifedipineCAS 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 acid

RFQ questions for CAS 134308-13-7

What are the key identifiers for Tolcapone (CAS 134308-13-7)?

Tolcapone is identified by CAS 134308-13-7, with molecular formula C14H11NO5, molecular weight 273.24, InChIKey MIQPIUSUKVNLNT-UHFFFAOYSA-N.

Does CAS 134308-13-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Catechol O-methyltransferase, Transthyretin, Catechol O-methyltransferase, Genome polyprotein, Progesterone receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 134308-13-7?

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

Can I request supplier SDS for Tolcapone?

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

Is CAS 134308-13-7 available for quotation?

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

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