Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H28N3O9S2.Na.H2O |
Molecular Weight | 583.607 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[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)OCOC(=O)C(C)(C)C
InChI
InChIKey=KUQZZWOAVNVESS-WRHBRTBDSA-M
InChI=1S/C22H29N3O9S2.Na.H2O/c1-21(2,3)20(29)34-11-33-19(28)15-22(4,5)35-18-14(17(27)25(15)18)23-16(26)13(24-36(30,31)32)12-9-7-6-8-10-12;;/h6-10,13-15,18,24H,11H2,1-5H3,(H,23,26)(H,30,31,32);;1H2/q;+1;/p-1/t13-,14-,15+,18-;;/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 | 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 | C22H29N3O9S2 |
Molecular Weight | 543.61 |
Charge | 0 |
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 15:23:13 GMT 2023
by
admin
on
Fri Dec 15 15:23:13 GMT 2023
|
Record UNII |
FP234754RK
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Record Status |
Validated (UNII)
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Record Version |
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-
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FP234754RK
Created by
admin on Fri Dec 15 15:23:13 GMT 2023 , Edited by admin on Fri Dec 15 15:23:13 GMT 2023
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133082393
Created by
admin on Fri Dec 15 15:23:13 GMT 2023 , Edited by admin on Fri Dec 15 15:23:13 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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