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Nedemelteon

CAT: 0013-GTR19239754-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239754-02Size:50 mg
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Description
Nedelteon is a selective melatonin receptor agonist used in research to study circadian rhythms and sleep disorders. It is employed in both in vitro binding assays and in vivo models to investigate its pharmacological profile and potential therapeutic applications.
CAS Number
1000334-38-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CNC (C) =O) [C@H]1C=2C3=C (C=CC2CC1) N=C (C) O3
Molecular Formula
C15H18N2O2
Molecular Weight
258.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nedemelteon

Nedemelteon is a small molecule drug. The usage of the INN stem '-melteon' in the name indicates that Nedemelteon is a melatonin receptor agonist. Nedemelteon has a monoisotopic molecular weight of 258.14 Da.

CAS Number1000334-38-2
PubChem CID57781216
IUPAC NameN-[2-[(8S)-2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl]ethyl]acetamide
Molecular FormulaC15H18N2O2
Molecular Weight258.32
XLogP2.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity347
SMILES
CC1=NC2=C(O1)C3=C(CC[C@H]3CCNC(=O)C)C=C2
InChI
InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKey
CCRUCMHMQXUZAT-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Nedemelteon
CAS: 1000334-38-2
CID: 57781216
Formula: C15H18N2O2
MW: 258.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.32
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass258.136827821
Monoisotopic Mass258.136827821
Topological Polar Surface Area55.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T201036-01Nedemelteon

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