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Home/Compounds/CAS 3366-95-8
Formula C7H11N3O3MW 185.18Research-use catalog entryCOA/SDS by request

Secnidazole

CAS Number: 3366-95-8

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Loading RDKit molecule structure...
InChIKey: KPQZUUQMTUIKBP-UHFFFAOYSA-NC7H11N3O3 | MW 185.18

Chemical Absolute Identifiers

CAS Number

3366-95-8

PubChem CID

71815

Molecular Formula

C7H11N3O3

Molecular Weight

185.18 g/mol

Exact Mass

185.080041

InChIKey

KPQZUUQMTUIKBP-UHFFFAOYSA-N

IUPAC Name

1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

SMILES String

CC1=NC=C(N1CC(C)O)[N+](=O)[O-]

Physical Properties

Water Solubility

27.8 mol/L

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

Catalog Facts

Structural features

Secnidazole (CAS 3366-95-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C7H11N3O3 and molecular weight 185. 18 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: Geminin (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Geminin

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

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

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

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

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

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for 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

Secnidazole

Names & Synonyms

SecnidazolFlagentyl1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-olSecnidazolumSolosec
Show all synonyms
SecnidalRP 14539Secnidazole anhydrousOrnidazole metabolite m4Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-Deprozol1-(2'-hydroxypropyl)-2-methyl-5-nitroimidazoleSecnidazolum [INN-Latin]Secnidazole (Flagentyl)PM 1851841-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol
External Identifiers
EC NUMBER: 222-134-0DSSTOX SUBSTANCE ID: DTXSID3045934CHEMBL ID: CHEMBL498847CHEBI ID: CHEBI:140628UNII: R3459K699KDRUGBANK ID: DB12834HMDB ID: HMDB0258202KEGG ID: D07353METABOLOMICS WORKBENCH ID: 153743NCI THESAURUS CODE: C66529RXCUI: 36314WIKIDATA ID: Q4413249
Experimental Spectrum References
13C NMR Spectra15N NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.Raman Spectra — Bio-Rad Laboratories, Inc.
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 10.1016/j.ejmech.2020.112994Metronidazole-conjugates: A comprehensive review of recent developments towards synthesis and medicinal perspective.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 activatorsPMID 33234343Metronidazole-conjugates: A comprehensive review of recent developments towards synthesis and medicinal perspective.DOI 10.1021/acs.jmedchem.0c00910Anti-Giardia Drug Discovery: Current Status and Gut Feelings.DOI 10.1101/2020.04.03.023846In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replication

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

Ornidazole, (S)-CAS 166734-83-4
Dextrorotation nimorazole phosphate esterCAS 1124347-33-6
RonidazoleCAS 7681-76-7
FexinidazoleCAS 59729-37-2
NimorazoleCAS 6506-37-2

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 166734-83-4Ornidazole, (S)-CAS 1124347-33-6Dextrorotation nimorazole phosphate esterCAS 696-23-12-Methyl-5-nitroimidazoleCAS 10083-24-6PiceatannolCAS 112574-44-4NitrofurazoneCAS 124858-35-1NadifloxacinCAS 102146-07-6DpcpxCAS 104227-87-4FamciclovirCAS 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 acid

RFQ questions for CAS 3366-95-8

What are the key identifiers for Secnidazole (CAS 3366-95-8)?

Secnidazole is identified by CAS 3366-95-8, with molecular formula C7H11N3O3, molecular weight 185.18, InChIKey KPQZUUQMTUIKBP-UHFFFAOYSA-N.

Does CAS 3366-95-8 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Geminin, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 3366-95-8?

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

Can I request supplier SDS for Secnidazole?

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

Is CAS 3366-95-8 available for quotation?

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

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