Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00473
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| Drug Name |
Agomelatine
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| Synonyms |
AGO 178; AGO-178; AGO178; Agomelatine [INN]; Agomelatine(INN); N-(2-(7-Methoxy-1-naphthalenyl)ethyl)acetamide; N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide; N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide; N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide; S 20098; S-20098; S20098; Thymanax; Valdoxan; Valdoxan (TN); Valdoxan, Melitor, Thymanax, Agomelatine
|
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C15H17NO2
|
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| Canonical SMILES |
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
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| 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)
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| InChIKey |
YJYPHIXNFHFHND-UHFFFAOYSA-N
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| CAS Number |
CAS 138112-76-2
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| Pharmaceutical Properties | Molecular Weight | 243.3 | Topological Polar Surface Area | 38.3 | ||
| Heavy Atom Count | 18 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
2.7
|
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| PubChem CID | ||||||
| PubChem SID |
10219207
,103171284
,103943227
,104379867
,109692881
,12014766
,123121579
,124757110
,125163914
,125333716
,126620366
,126648120
,126667094
,126728359
,129806556
,131480735
,134338989
,135037533
,135588690
,135649906
,136340261
,136367368
,136368118
,136991142
,137228670
,137232583
,142374863
,144115558
,144160950
,15121987
,152225873
,152258747
,152344557
,160647592
,17396749
,43137308
,47805575
,48029689
,48253997
,48329090
,49859801
,50597493
,53789947
,57333351
,58107135
,7980554
,85175740
,85209276
,92720043
,99437046
|
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| ChEBI ID |
CHEBI:134990
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| TTD Drug ID | ||||||
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