Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00699
|
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| Drug Name |
Mirabegron
|
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| Synonyms |
Myrbetriq (TN)
|
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| Drug Type |
Small molecular drug
|
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| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C21H24N4O2S
|
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| Canonical SMILES |
C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
|
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| InChI |
InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
|
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| InChIKey |
PBAPPPCECJKMCM-IBGZPJMESA-N
|
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| CAS Number |
CAS 223673-61-8
|
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| Pharmaceutical Properties | Molecular Weight | 396.5 | Topological Polar Surface Area | 129 | ||
| Heavy Atom Count | 28 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
2.1
|
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| PubChem CID | ||||||
| PubChem SID |
104179241
,131305973
,135262850
,135264045
,137204503
,141480260
,14830284
,15100038
,152258601
,160644771
,160647435
,160708387
,164178021
,164230555
,164763064
,172914174
,175267526
,175427137
,178104017
,186007037
,187072486
,188932513
,218903013
,223541479
,223664787
,223701034
,223917501
,227170942
,24157536
,242060285
,248359277
,249867219
,251963956
,251971077
,252160992
,252227885
,252448538
,252553766
,45287794
,80776075
,96026215
|
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| ChEBI ID |
ChEBI:65349
|
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| TTD Drug ID | ||||||
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