Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H29F3N2O10S |
| Molecular Weight | 642.597 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, S |
SHOW SMILES / InChI
SMILES
CC1=C(N(CCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1C(=O)NC3=CC=C(C=C3)S(C)(=O)=O)C4=C(C=CC=C4)C(F)(F)F
InChI
InChIKey=MVOYAEHVDCIAQE-RTCYWULBSA-N
InChI=1S/C28H29F3N2O10S/c1-14-18(25(37)32-15-7-9-16(10-8-15)44(2,40)41)13-33(20(14)17-5-3-4-6-19(17)28(29,30)31)11-12-42-27-23(36)21(34)22(35)24(43-27)26(38)39/h3-10,13,21-24,27,34-36H,11-12H2,1-2H3,(H,32,37)(H,38,39)/t21-,22-,23+,24-,27+/m0/s1
| Molecular Formula | C28H29F3N2O10S |
| Molecular Weight | 642.597 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:16:44 UTC 2023
by
admin
on
Sat Dec 16 15:16:44 UTC 2023
|
| Record UNII |
XIY6C8ZGP7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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2247272-70-2
Created by
admin on Sat Dec 16 15:16:44 UTC 2023 , Edited by admin on Sat Dec 16 15:16:44 UTC 2023
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PRIMARY | |||
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145996712
Created by
admin on Sat Dec 16 15:16:44 UTC 2023 , Edited by admin on Sat Dec 16 15:16:44 UTC 2023
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PRIMARY | |||
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XIY6C8ZGP7
Created by
admin on Sat Dec 16 15:16:44 UTC 2023 , Edited by admin on Sat Dec 16 15:16:44 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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|
PARENT -> METABOLITE |
The metabolite/radioactivity AUCR of M4 was slightly high (21.4%)
MAJOR
PLASMA
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