Products for Research Use Only
RegisterLogin

Agomelatine hydrochloride

CAT: 1568-C03665-5mgSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C03665-5mgSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1176316-99-6
Synonyms
S-20098 hydrochloride
Target
MT Receptor
Applications
Neuronal Signaling
Molecular Formula
C15H17NO2.ClH
Additionnal Information
Agomelatine hydrochloride (S-20098 hydrochloride) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively. It is also a selective antagonist of 5-HT2C receptors with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively. Blockade of these receptors enhances adrenergic and dopaminergic transmission in the frontocortical regions.

Chemical Information

Agomelatine hydrochloride
CAS Number1176316-99-6
PubChem CID66980040
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride
Molecular FormulaC15H18ClNO2
Molecular Weight279.76
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC.Cl
InChI
InChI=1S/C15H17NO2.ClH/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);1H
InChIKey
ZJVMEXOLMFNQPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agomelatine hydrochloride
CAS: 1176316-99-6
CID: 66980040
Formula: C15H18ClNO2
MW: 279.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass279.1026065
Monoisotopic Mass279.1026065
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
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 Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
C16205-50mgAgomelatine (S20098)
C16205-10mM/1mLAgomelatine (S20098)
C16205-01Agomelatine (S20098)
C07649Agomelatine (S20098)
C07649-10mgAgomelatine (S20098)
C16205-100mgAgomelatine (S20098)
C039357-Desmethyl-agomelatine
C03935-25mg7-Desmethyl-agomelatine
C01121Colesevelam Hydrochloride
C01017Dipivefrin Hydrochloride

Alternative Products

CatalogName
T60523-01Agomelatine hydrochloride
HY-17038A-01Agomelatine (hydrochloride)
HY-17038AR-01Agomelatine (hydrochloride) (Standard)
259009-01Agomelatine

Popular Products