Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H32N4O9S |
| Molecular Weight | 588.629 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC(CC(=O)NC2=CC=C(CCN(C[C@H](O)C3=CC=CC=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)=CS1
InChI
InChIKey=PPZPAYKGJINYBZ-FBZAMZGSSA-N
InChI=1S/C27H32N4O9S/c28-27-30-18(14-41-27)12-20(33)29-17-8-6-15(7-9-17)10-11-31(13-19(32)16-4-2-1-3-5-16)40-26-23(36)21(34)22(35)24(39-26)25(37)38/h1-9,14,19,21-24,26,32,34-36H,10-13H2,(H2,28,30)(H,29,33)(H,37,38)/t19-,21-,22-,23+,24-,26-/m0/s1
| Molecular Formula | C27H32N4O9S |
| Molecular Weight | 588.629 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 02:21:00 UTC 2022
by
admin
on
Sun Dec 18 02:21:00 UTC 2022
|
| Record UNII |
RJ1WP0LG74
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English |
| Code System | Code | Type | Description | ||
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91810676
Created by
admin on Sun Dec 18 02:21:01 UTC 2022 , Edited by admin on Sun Dec 18 02:21:01 UTC 2022
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PRIMARY | |||
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RJ1WP0LG74
Created by
admin on Sun Dec 18 02:21:01 UTC 2022 , Edited by admin on Sun Dec 18 02:21:01 UTC 2022
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1365244-69-4
Created by
admin on Sun Dec 18 02:21:01 UTC 2022 , Edited by admin on Sun Dec 18 02:21:01 UTC 2022
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
CYP
3A4 is the primary responsible isoenzyme for in vitro hepatic oxidative
metabolism of mirabegron, with a minor role of CYP2D6
|
