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CAS Number: 64872-77-1
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CAS Number
64872-77-1
PubChem CID
47471
Molecular Formula
C19H18Cl3N3O3S
Molecular Weight
474.8 g/mol
Exact Mass
473.013446
InChIKey
ZHPWRQIPPNZNML-UHFFFAOYSA-N
IUPAC Name
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
SMILES String
C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Butoconazole Nitrate (CAS 64872-77-1) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C19H18Cl3N3O3S and molecular weight 474. 80 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.
ChEMBL reports experimental activity evidence for: Geminin (Homo sapiens) — 2 assays; Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (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
Isocitrate dehydrogenase [NADP] cytoplasmic
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Butoconazole Nitrate is identified by CAS 64872-77-1, with molecular formula C19H18Cl3N3O3S, molecular weight 474.8, InChIKey ZHPWRQIPPNZNML-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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