Research chemical
CAS Number: 111555-58-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5486827
Exact Mass
415.178358
InChIKey
ZHVWWEYETMPAMX-IFKAHUTRSA-N
IUPAC Name
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
SMILES String
Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
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.
Naltriben is identified by CAS 111555-58-9, with molecular formula C26H25NO4, molecular weight 415.5, InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Delta-type opioid receptor, Mu-type opioid receptor, Kappa-type opioid receptor, Delta-type opioid receptor, 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.
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
31
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
2
Ring count
8
Aromatic rings
3
Topological polar surface area
66.07 Ų
Computed LogP
3.84
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Naltriben (CAS 111555-58-9) is maintained as a commercial cas reference with formula C26H25NO4, molecular weight 415. 50 g/mol, PubChem CID 5486827.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Delta-type opioid receptor (Homo sapiens) — 2 assays; Mu-type opioid receptor (Cavia porcellus) — 3 assays; Kappa-type opioid receptor (Cavia porcellus) — 3 assays; Delta-type opioid receptor (Mus musculus) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Delta-type opioid receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 10.89
Experimental evidence source: ChEMBL
Mu-type opioid receptor
Cavia porcellus · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.72
Experimental evidence source: ChEMBL
Kappa-type opioid receptor
Cavia porcellus · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 6.82
Experimental evidence source: ChEMBL
Delta-type opioid receptor
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · 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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.