Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H17N3O7S2.2Na |
Molecular Weight | 473.432 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NS([O-])(=O)=O)C3=CC=CC=C3)C([O-])=O
InChI
InChIKey=DLJRZFNLBKBWMD-ZQDFAFASSA-L
InChI=1S/C16H19N3O7S2.2Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)27-16)17-12(20)9(18-28(24,25)26)8-6-4-3-5-7-8;;/h3-7,9-11,14,18H,1-2H3,(H,17,20)(H,22,23)(H,24,25,26);;/q;2*+1/p-2/t9-,10-,11+,14-;;/m1../s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H17N3O7S2 |
Molecular Weight | 427.452 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:04:12 GMT 2023
by
admin
on
Fri Dec 15 15:04:12 GMT 2023
|
Record UNII |
9PJA7A02BL
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English | ||
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Common Name | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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Code System | Code | Type | Description | ||
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9PJA7A02BL
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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PRIMARY | |||
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71377
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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CHEMBL2111139
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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PRIMARY | |||
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23444-86-2
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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PRIMARY | |||
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C152472
Created by
admin on Fri Dec 15 15:04:12 GMT 2023 , Edited by admin on Fri Dec 15 15:04:12 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |