Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H24N2O8S |
| Molecular Weight | 524.542 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(SC1=C(C=NC=C1)C2=C3C=CC=CC3=C(C=C2)C#N)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
InChI
InChIKey=TZRNQKOOCFCNFA-UOAPUEHGSA-N
InChI=1S/C26H24N2O8S/c1-26(2,25(34)36-24-21(31)19(29)20(30)22(35-24)23(32)33)37-18-9-10-28-12-17(18)16-8-7-13(11-27)14-5-3-4-6-15(14)16/h3-10,12,19-22,24,29-31H,1-2H3,(H,32,33)/t19-,20-,21+,22-,24-/m0/s1
| Molecular Formula | C26H24N2O8S |
| Molecular Weight | 524.542 |
| 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 14:58:11 UTC 2023
by
admin
on
Sat Dec 16 14:58:11 UTC 2023
|
| Record UNII |
WT8RGZ52JT
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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WT8RGZ52JT
Created by
admin on Sat Dec 16 14:58:12 UTC 2023 , Edited by admin on Sat Dec 16 14:58:12 UTC 2023
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PRIMARY | |||
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2229834-93-7
Created by
admin on Sat Dec 16 14:58:12 UTC 2023 , Edited by admin on Sat Dec 16 14:58:12 UTC 2023
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PRIMARY | |||
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156028096
Created by
admin on Sat Dec 16 14:58:12 UTC 2023 , Edited by admin on Sat Dec 16 14:58:12 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
The formation of M1 was mediated by several UGTs, namely UGT1A3, UGT2B4, UGT2B7, and UGT2B17.
MAJOR
PLASMA
|
||
|
PARENT -> METABOLITE |
The formation of M1 was mediated by several UGTs, namely UGT1A3, UGT2B4, UGT2B7, and UGT2B17.
MAJOR
URINE
|
