Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H25ClO5S |
| Molecular Weight | 424.938 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)C=C1
InChI
InChIKey=QKDRXGFQVGOQKS-CRSSMBPESA-N
InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
| Molecular Formula | C21H25ClO5S |
| Molecular Weight | 424.938 |
| 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 01:31:17 UTC 2023
by
admin
on
Sat Dec 16 01:31:17 UTC 2023
|
| Record UNII |
6B4ZBS263Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C98083
Created by
admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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| Code System | Code | Type | Description | ||
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ZZ-95
Created by
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Sotagliflozin
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5339
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admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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C119623
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9824
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24831714
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CHEMBL3039507
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admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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100000164728
Created by
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1018899-04-1
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DTXSID20144314
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6B4ZBS263Y
Created by
admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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DB12713
Created by
admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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m12141
Created by
admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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SUB179285
Created by
admin on Sat Dec 16 01:31:17 UTC 2023 , Edited by admin on Sat Dec 16 01:31:17 UTC 2023
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| Related Record | Type | Details | ||
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HEK293 cells overexpressing human SGLT2
IC50
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TARGET -> INHIBITOR |
HEK293 cells overexpressing human SGLT1
IC50
|
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ACTIVE MOIETY |
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