- Package
- 1 mg
- Purity
- 98%
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CAS Number: 229005-80-5
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CAS Number
229005-80-5
PubChem CID
183789
Molecular Formula
C33H39ClN2O2
Molecular Weight
531.1 g/mol
Exact Mass
530.270006
InChIKey
VDALIBWXVQVFGZ-UHFFFAOYSA-N
IUPAC Name
dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride
SMILES String
CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
10 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: C-C chemokine receptor type 2 (Homo sapiens) — 31 assays; C-C chemokine receptor type 5 (Homo sapiens) — 13 assays; C-X-C chemokine receptor type 3 (Homo sapiens) — 2 assays; Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtype B (isolate YU-2)(HIV-1)) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
C-C chemokine receptor type 2
Homo sapiens · SINGLE PROTEIN · 31 qualifying assays · 13 documents · best pChEMBL 10.52
Experimental evidence source: ChEMBL
C-C chemokine receptor type 5
Homo sapiens · SINGLE PROTEIN · 13 qualifying assays · 9 documents · best pChEMBL 8.92
Experimental evidence source: ChEMBL
C-X-C chemokine receptor type 3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
Envelope glycoprotein gp160
Human immunodeficiency virus type 1 group M subtype B (isolate YU-2)(HIV-1) · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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 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.
N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride is identified by CAS 229005-80-5, with molecular formula C33H39ClN2O2, molecular weight 531.1, InChIKey VDALIBWXVQVFGZ-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with C-C chemokine receptor type 2, C-C chemokine receptor type 5, C-X-C chemokine receptor type 3, Envelope glycoprotein gp160. 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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