Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H19N4O9S.Na.H2O |
Molecular Weight | 436.371 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].CO[C@@]1(CN(C1=O)S([O-])(=O)=O)NC(=O)[C@@H](C)NC(=O)CC[C@@H](N)C(O)=O
InChI
InChIKey=ZFQUZRKTJUMCNY-CBVAYGEWSA-M
InChI=1S/C12H20N4O9S.Na.H2O/c1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24;;/h6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24);;1H2/q;+1;/p-1/t6-,7-,12-;;/m1../s1
Molecular Formula | C12H20N4O9S |
Molecular Weight | 396.374 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:42:43 GMT 2023
by
admin
on
Sat Dec 16 00:42:43 GMT 2023
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Record UNII |
0CTL1BJ86Z
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Record Status |
Validated (UNII)
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Record Version |
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-
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m10347
Created by
admin on Sat Dec 16 00:42:43 GMT 2023 , Edited by admin on Sat Dec 16 00:42:43 GMT 2023
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PRIMARY | Merck Index | ||
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90479655
Created by
admin on Sat Dec 16 00:42:43 GMT 2023 , Edited by admin on Sat Dec 16 00:42:43 GMT 2023
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PRIMARY | |||
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0CTL1BJ86Z
Created by
admin on Sat Dec 16 00:42:43 GMT 2023 , Edited by admin on Sat Dec 16 00:42:43 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |