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- Purity
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CAS Number: 104-31-4
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CAS Number
104-31-4
PubChem CID
7699
Molecular Formula
C30H53NO11
Molecular Weight
603.7 g/mol
Exact Mass
603.361862
InChIKey
MAFMQEKGGFWBAB-UHFFFAOYSA-N
IUPAC Name
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
SMILES String
CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Water Solubility
1.59 × 10⁻³ g/L
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Benzonatate (CAS 104-31-4) is listed in the Life Science portfolio, with molecular formula C30H53NO11 and molecular weight 603. 70 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for life-science research and analytical 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: Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Bile salt export pump (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 1A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.2
Experimental evidence source: ChEMBL
Bile salt export pump
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 4.58
Experimental evidence source: ChEMBL
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
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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.
Benzonatate is identified by CAS 104-31-4, with molecular formula C30H53NO11, molecular weight 603.7, InChIKey MAFMQEKGGFWBAB-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 3A4, Bile salt export pump, 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B. 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.
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