Products for Research Use Only
RegisterLogin

3-Hydroxy Agomelatine

CAT: 1596-AR-A01531-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-A01531-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
166526-99-4
Synonyms
N- (2- (3-hydroxy-7-methoxynaphthalen-1-yl) ethyl) acetamide;3-Hydroxy Agomelatine
Molecular Formula
C15H17NO3
Molecular Weight
259.31
API Name
Agomelatine

Chemical Information

N-(2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl)acetamide

an agomelatine metabolite

CAS Number166526-99-4
PubChem CID10400344
IUPAC NameN-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide
Molecular FormulaC15H17NO3
Molecular Weight259.30
XLogP2.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity308
SMILES
CC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)O)OC
InChI
InChI=1S/C15H17NO3/c1-10(17)16-6-5-12-8-13(18)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9,18H,5-6H2,1-2H3,(H,16,17)
InChIKey
VUBBOOVHTBZRTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl)acetamide
CAS: 166526-99-4
CID: 10400344
Formula: C15H17NO3
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass259.12084340
Monoisotopic Mass259.12084340
Topological Polar Surface Area58.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity308
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

Related Products

CatalogName
AR-A01520-01Agomelatine
AR-A05799-01Agomelatine Urea
AR-A01519-01Agomelatine-d6
AR-A05791-01Agomelatine Impurity 8
AR-A01526-01Agomelatine Impurity A HCl
AR-A01528-01Agomelatine Impurity D
AR-A01530-01Agomelatine Impurity 2
AR-A05798-01Agomelatine Impurity C
AR-A05796-01Agomelatine Impurity 13
AR-A01522-01Agomelatine Dimer Urea

Alternative Products

CatalogName
MBS57659073-Hydroxy agomelatine
HY-133111S-013-Hydroxy agomelatine-d3
T10113-013-Hydroxy agomelatine D3
RGA52700-013-Hydroxy-7-desmethyl agomelatine
D450485(E)-N-[2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)ethyl]acetamide(Agomelatine Impurity)
448013-01(E) -N-[2- (3,4-Dihydro-7-methoxy-1 (2H) -naphthalenylidene) ethyl]acetamide (Agomelatine Impurity)
259009-01Agomelatine

Popular Products