Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01101
|
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| Drug Name |
Tianeptine
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| Synonyms |
(1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide; 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid; Stablon (TN); Tianeptina; Tianeptine (INN); Tianeptine Acid; Tianeptine [INN]; Tianeptinum
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| Drug Type |
Small molecular drug
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H25ClN2O4S
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| Canonical SMILES |
CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O
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| InChI |
InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
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| InChIKey |
JICJBGPOMZQUBB-UHFFFAOYSA-N
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| CAS Number |
CAS 26638-66-4
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| Pharmaceutical Properties | Molecular Weight | 437 | Topological Polar Surface Area | 95.1 | ||
| Heavy Atom Count | 29 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
1.2
|
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| PubChem CID | ||||||
| PubChem SID |
104343282
,117461940
,118844741
,123087233
,125355861
,126620557
,126655743
,126669538
,128278297
,131323118
,134338709
,135204769
,135259984
,137172964
,142970937
,14930306
,152040009
,152258933
,160647777
,162178730
,163068340
,164234531
,164765590
,164814565
,17396746
,177748539
,179226145
,185990403
,187072591
,211536271
,223365894
,223387136
,223678309
,223704753
,224381628
,226433082
,242455962
,252357546
,252357547
,252424765
,43125383
,49834577
,57317121
,6243297
,78806126
,8192407
,85175447
,91616270
,92719757
,99381468
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| TTD Drug ID | ||||||
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