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Agomelatine

CAT: 0607-B2262-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B2262-50Size:50 mg
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Description
MT1/MT2 / 5-HT2C agonist
CAS Number
138112-76-2
Product Name Alternative
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.9994
Solubility
insoluble in H2O; ≥117.6 mg/mL in EtOH; ≥12.17 mg/mL in DMSO
Smiles
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
Molecular Formula
C15H17NO2
Molecular Weight
243.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Agomelatine

Agomelatine is a member of acetamides.

CAS Number138112-76-2
PubChem CID82148
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Molecular FormulaC15H17NO2
Molecular Weight243.30
XLogP2.7
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity280
SMILES
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKey
YJYPHIXNFHFHND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agomelatine
CAS: 138112-76-2
CID: 82148
Formula: C15H17NO2
MW: 243.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.30
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass243.125928785
Monoisotopic Mass243.125928785
Topological Polar Surface Area38.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
259009-01Agomelatine
CS-O-02621Agomelatine-d6
HY-17038A-01Agomelatine (hydrochloride)
T60523-01Agomelatine hydrochloride
RM-A056321-01Agomelatine Impurity A

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