Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C26H25N2O8S.Na |
| Molecular Weight | 548.54 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed epimeric |
SHOW SMILES / InChI
SMILES
[Na+].COC(=O)CC1=CC=C(OC(=O)C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C4=CC=CC=C4)C=C1
InChI
InChIKey=QYFSWQBKRXTRNX-XZVIDJSISA-M
InChI=1S/C26H26N2O8S.Na/c1-26(2)20(24(32)33)28-22(31)19(23(28)37-26)27-21(30)18(15-7-5-4-6-8-15)25(34)36-16-11-9-14(10-12-16)13-17(29)35-3;/h4-12,18-20,23H,13H2,1-3H3,(H,27,30)(H,32,33);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1
| Molecular Formula | C26H25N2O8S |
| Molecular Weight | 525.55 |
| Charge | -1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:29:34 GMT 2025
by
admin
on
Mon Mar 31 21:29:34 GMT 2025
|
| Record UNII |
47QUH6I5MR
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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137321742
Created by
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31750-52-4
Created by
admin on Mon Mar 31 21:29:34 GMT 2025 , Edited by admin on Mon Mar 31 21:29:34 GMT 2025
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47QUH6I5MR
Created by
admin on Mon Mar 31 21:29:34 GMT 2025 , Edited by admin on Mon Mar 31 21:29:34 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
