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Home/Compounds/CAS 59-63-2
Formula C12H13N3O2MW 231.25Research-use catalog entryCOA/SDS by request

Isocarboxazid

CAS Number: 59-63-2

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Loading RDKit molecule structure...
InChIKey: XKFPYPQQHFEXRZ-UHFFFAOYSA-NC12H13N3O2 | MW 231.25

Chemical Absolute Identifiers

CAS Number

59-63-2

PubChem CID

3759

Molecular Formula

C12H13N3O2

Molecular Weight

231.25 g/mol

Exact Mass

231.100777

InChIKey

XKFPYPQQHFEXRZ-UHFFFAOYSA-N

IUPAC Name

N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

SMILES String

CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2

Physical Properties

Melting Point

105–106 °C

Water Solubility

0.224 g/L

pKa

10.4

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

Catalog Facts

Structural features

Isocarboxazid (CAS 59-63-2) is listed in the Advanced Chemicals portfolio, with molecular formula C12H13N3O2 and molecular weight 231. 25 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: 5-hydroxytryptamine receptor 1A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 2 assays; Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 1A

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

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2A

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

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

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

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

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

Experimental evidence source: ChEMBL

Gamma-aminobutyric acid receptor subunit alpha-1

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
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PPE

Respiratory protection if needed

First Aid

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Stability / Reactivity

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

Disposal

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Fire Fighting

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Accidental Release

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Isocarboxazid

Names & Synonyms

IsocarboxazideEnerzerMarplanIsocarbonazidIsocarbossazide
Show all synonyms
IsocarboxazidaRo 5-0831Isocarboxazidum5-Methyl-3-isoxazolecarboxylic acid 2-benzylhydrazide3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide4-27-00-03999 (Beilstein Handbook Reference)IsocarboxacidBenazideN'-Benzyl-5-methylisoxazole-3-carbohydrazideIsocarboxyzidMarplonMaraplanIsocarbossazide [DCIT]BMIH
External Identifiers
EC NUMBER: 200-438-4DSSTOX SUBSTANCE ID: DTXSID4023171CHEMBL ID: CHEMBL1201168CHEBI ID: CHEBI:93635UNII: 34237V843TDRUGBANK ID: DB01247HMDB ID: HMDB0015377KEGG ID: D02580METABOLOMICS WORKBENCH ID: 43455NCI THESAURUS CODE: C47573PHARMGKB ID: PA450101RXCUI: 6011WIKIDATA ID: Q409595
Experimental Spectrum References
13C NMR SpectraFTIR SpectraUV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.isci.2024.108907Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelPMID 38318365Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelDOI 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.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityDOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.1101/2020.04.03.023846In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replicationDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection

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

5-Methyl-3-isoxazolecarbohydrazideCAS 62438-03-3
1,2-Bis(phenylmethyl) 1,2-hydrazinedicarboxylateCAS 5394-50-3
5-Methyl-2-furohydrazideCAS 20842-19-7
Benzyl tert-butyl hydrazine-1,2-dicarboxylateCAS 57699-88-4
6-Methylpyridine-2-carbohydrazideCAS 98547-86-5

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 62438-03-35-Methyl-3-isoxazolecarbohydrazideCAS 100643-71-8DesloratadineCAS 106516-24-9SertindoleCAS 107724-20-9EplerenoneCAS 102767-28-2LevetiracetamCAS 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 59-63-2

What are the key identifiers for Isocarboxazid (CAS 59-63-2)?

Isocarboxazid is identified by CAS 59-63-2, with molecular formula C12H13N3O2, molecular weight 231.25, InChIKey XKFPYPQQHFEXRZ-UHFFFAOYSA-N.

Does CAS 59-63-2 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, Alpha-2A adrenergic receptor, Gamma-aminobutyric acid receptor subunit alpha-1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 59-63-2?

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

Can I request supplier SDS for Isocarboxazid?

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Is CAS 59-63-2 available for quotation?

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