3-Hydroxy Agomelatine structure, CAS 166526-99-4

3-Hydroxy Agomelatine

CAS Number166526-99-4

SynonymsN-[2-(3-Hydroxy-7-methoxy-1-naphthyl)ethyl]acetamide; N-(2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl)acetamide

Molecular FormulaC15H17NO3

Molecular Weight259.3

Purity

Density1.2±0.1 g/cm3

Boiling Point545.8±40.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Symbol

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Cat. No.: 2A-3181732 Purity:
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Chemical & Physical Properties
CAS Number166526-99-4
Catalog No.2A-3181732
Chinese Name3-羟基阿戈美拉汀D3
SynonymsN-[2-(3-Hydroxy-7-methoxy-1-naphthyl)ethyl]acetamide; N-(2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl)acetamide
Molecular FormulaC15H17NO3
Molecular Weight259.3
Density1.2±0.1 g/cm3
Boiling Point545.8±40.0 °C at 760 mmHg
Storage Conditionroom temperature
Application3-Hydroxy agomelatine is the metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT2C receptor antagonist with an IC50 of 3.2 μM and a Ki of 1.8 μM.
PubChem ID15416978
MDL NumberC15H17NO3
SMILESCOc1ccc2cc(O)cc(CCNC(C)=O)c2c1
InChIInChI=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)
InChI KeyVUBBOOVHTBZRTJ-UHFFFAOYSA-N
Transport InfoProduct Name: 3-Hydroxyagomelatine D3
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