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+].CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](NS([O-])(=O)=O)C3=CC=CC=C3)C2=O
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 | 22.98976928 |
| 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 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:55:58 GMT 2025
by
admin
on
Mon Mar 31 17:55:58 GMT 2025
|
| Record UNII |
FP234754RK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English |
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FP234754RK
Created by
admin on Mon Mar 31 17:55:58 GMT 2025 , Edited by admin on Mon Mar 31 17:55:58 GMT 2025
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PRIMARY | |||
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133082393
Created by
admin on Mon Mar 31 17:55:58 GMT 2025 , Edited by admin on Mon Mar 31 17:55:58 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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