Research chemical
CAS Number: 111555-53-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5497186
Exact Mass
414.194343
InChIKey
WIYUZYBFCWCCQJ-IFKAHUTRSA-N
IUPAC Name
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[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]1c4[nH]c5ccccc5c4C[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.
Naltrindole is identified by CAS 111555-53-4, with molecular formula C26H26N2O3, molecular weight 414.5, InChIKey WIYUZYBFCWCCQJ-IFKAHUTRSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Delta-type opioid receptor, Nociceptin receptor, Delta-type opioid receptor, Delta-type opioid 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
31
H-bond acceptors
5
H-bond donors
3
Rotatable bonds
2
Ring count
8
Aromatic rings
3
Topological polar surface area
68.72 Ų
Computed LogP
3.57
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
Naltrindole (CAS 111555-53-4) is maintained as a commercial cas reference with formula C26H26N2O3, molecular weight 414. 50 g/mol, PubChem CID 5497186.
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) — 51 assays; Nociceptin receptor (Homo sapiens) — 3 assays; Delta-type opioid receptor (Mus musculus) — 27 assays; Delta-type opioid receptor (Rattus norvegicus) — 27 assays; Mu-type opioid receptor (Rattus norvegicus) — 19 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Delta-type opioid receptor
Homo sapiens · SINGLE PROTEIN · 51 qualifying assays · 37 documents · best pChEMBL 10.52
Experimental evidence source: ChEMBL
Nociceptin receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 10.52
Experimental evidence source: ChEMBL
Delta-type opioid receptor
Mus musculus · SINGLE PROTEIN · 27 qualifying assays · 20 documents · best pChEMBL 10.4
Experimental evidence source: ChEMBL
Delta-type opioid receptor
Rattus norvegicus · SINGLE PROTEIN · 27 qualifying assays · 20 documents · best pChEMBL 10.4
Experimental evidence source: ChEMBL
Mu-type opioid receptor
Rattus norvegicus · SINGLE PROTEIN · 19 qualifying assays · 16 documents · best pChEMBL 9.44
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.