Research chemical
CAS Number: 113165-32-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
60602
Exact Mass
609.283886
InChIKey
SVJMLYUFVDMUHP-XIFFEERXSA-N
IUPAC Name
5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES String
CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Niguldipine is identified by CAS 113165-32-5, with molecular formula C36H39N3O6, molecular weight 609.7, InChIKey SVJMLYUFVDMUHP-XIFFEERXSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Alpha-1A adrenergic receptor, Alpha-1B adrenergic receptor, Histamine H1 receptor, Alpha-1D adrenergic receptor, Mu-type opioid receptor. 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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
10
Ring count
5
Aromatic rings
3
Topological polar surface area
111.01 Ų
Computed LogP
6.02
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Niguldipine (CAS 113165-32-5) is maintained as a cataloged research chemical with formula C36H39N3O6, molecular weight 609. 70 g/mol, PubChem CID 60602.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Alpha-1A adrenergic receptor (Homo sapiens) — 5 assays; Alpha-1B adrenergic receptor (Homo sapiens) — 5 assays; Histamine H1 receptor (Homo sapiens) — 2 assays; Alpha-1D adrenergic receptor (Homo sapiens) — 3 assays; Mu-type opioid receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 5 documents · best pChEMBL 9.8
Experimental evidence source: ChEMBL
Alpha-1B adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 5 documents · best pChEMBL 7.6
Experimental evidence source: ChEMBL
Histamine H1 receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.05
Experimental evidence source: ChEMBL
Alpha-1D adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 7
Experimental evidence source: ChEMBL
Mu-type opioid receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.89
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.