Agomelatine Acetic Acid Ethyl Ester - CAS 6836-20-0
Catalog: |
BB067175 |
Product Name: |
Agomelatine Acetic Acid Ethyl Ester |
CAS: |
6836-20-0 |
Synonyms: |
3,4-Dihydro-7-methoxy-ethyl Ester Naphthaleneacetic Acid;Ethyl 2-(3,4-Dihydro-7-methoxy-1(2H)-naphthalenylidene)acetate;(E)-Ethyl 2-(7-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)acetate;Ethyl (7-methoxy-1,2,3,4-tetrahydro-1-naphthalenylidene)acetate;2-(3,4-dihydro-7-methoxy-1(2H)-naphthalenylidene)-ethyl Ester Acetic Acid |
IUPAC Name: | ethyl 2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)acetate |
Description: | Agomelatine Acetic Acid Ethyl Ester is a reagent used f for preparation of anti-depressant |
Molecular Weight: | 246.3 |
Molecular Formula: | C15H18O3 |
Canonical SMILES: | CCOC(=O)C=C1CCCC2=C1C=C(C=C2)OC |
InChI: | InChI=1S/C15H18O3/c1-3-18-15(16)9-12-6-4-5-11-7-8-13(17-2)10-14(11)12/h7-10H,3-6H2,1-2H3 |
InChI Key: | HMCZXRUEDOKTLT-UHFFFAOYSA-N |
References: | Stathakis, C., et al. Eur. J. Org. Chem., 29, 6376 (2014). |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.125594432 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3 |
-
Catalog: BB012200
8-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-chromen-4-one
Detail
-
Catalog: BB016397
1-methyl-3-(1,3-thiazol-2-yl)-1H-pyrazole-5-carbaldehyde
Detail
-
Catalog: BB016398
4-chloro-6-methylimidazo[2,1-f][1,2,4]triazine
Detail
-
Catalog: BB054100
Azetidine
Detail
-
Catalog: BB043274
Ethylferrocene
Detail
-
Catalog: BB016437
2-amino-3-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}propanenitrile
Detail
-
Catalog: BB077194
(S)-(-)-1,2-epoxydecane
Detail
-
Catalog: BB054808
2-(4-Aminooxan-3-yl)acetic Acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS