Research chemical
Nisoxetine, (-)-
CAS Number: 112066-66-7
Product details
Identity & specification
- Molecular formula
- C17H21NO2
- Molecular weight
- 271.35 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
6603938
Exact Mass
271.157229
InChIKey
ITJNARMNRKSWTA-HNNXBMFYSA-N
IUPAC Name
(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
SMILES String
CNCC[C@H](Oc1ccccc1OC)c1ccccc1
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
20
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
7
Ring count
2
Aromatic rings
2
Topological polar surface area
30.49 Ų
Computed LogP
3.42
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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.
Catalog Facts
Structural features
Nisoxetine, (-)- (CAS 112066-66-7) is maintained as a commercial cas reference with formula C17H21NO2, molecular weight 271. 35 g/mol, PubChem CID 6603938.
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, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Muscarinic acetylcholine receptor M1 (Rattus norvegicus) — 2 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays; Thyrotropin receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 2D6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.9
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.3
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M1
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.95
Experimental evidence source: ChEMBL
Cytochrome P450 2C19
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.6
Experimental evidence source: ChEMBL
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Nisoxetine, (-)- (CAS 112066-66-7)?
Nisoxetine, (-)- is identified by CAS 112066-66-7, with molecular formula C17H21NO2, molecular weight 271.35, InChIKey ITJNARMNRKSWTA-HNNXBMFYSA-N.
Does CAS 112066-66-7 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 2D6, Cytochrome P450 3A4, Muscarinic acetylcholine receptor M1, Cytochrome P450 2C19, Thyrotropin receptor. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 112066-66-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Nisoxetine, (-)-?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 112066-66-7 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.