Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C17H16N2O6S.K.H |
| Molecular Weight | 416.49 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C([O-])=O)C3=CC=CC=C3)C([O-])=O
InChI
InChIKey=DNAXYSPCMDEAQB-GJUCOGTPSA-M
InChI=1S/C17H18N2O6S.K/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);/q;+1/p-1/t9?,10-,11+,14-;/m1./s1
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | K |
| Molecular Weight | 39.0983 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C17H16N2O6S |
| Molecular Weight | 376.384 |
| Charge | -2 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 14:59:55 UTC 2023
by
admin
on
Fri Dec 15 14:59:55 UTC 2023
|
| Record UNII |
3UX6B304L3
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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3UX6B304L3
Created by
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23684326
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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C76220
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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DTXSID70938124
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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CHEMBL1214
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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17230-86-3
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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241-269-6
Created by
admin on Fri Dec 15 14:59:55 UTC 2023 , Edited by admin on Fri Dec 15 14:59:55 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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