Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22N8O9S3 |
| Molecular Weight | 638.653 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)C3=CSC(NC(=O)C(=N/OC)\C4=CSC(N)=N4)=N3
InChI
InChIKey=DMQLPZRNCVTSTP-LGFHRFDQSA-N
InChI=1S/C22H22N8O9S3/c1-8(31)39-4-9-5-40-19-14(18(34)30(19)15(9)20(35)36)26-16(32)13(29-38-3)11-7-42-22(25-11)27-17(33)12(28-37-2)10-6-41-21(23)24-10/h6-7,14,19H,4-5H2,1-3H3,(H2,23,24)(H,26,32)(H,35,36)(H,25,27,33)/b28-12-,29-13-/t14-,19-/m1/s1
| Molecular Formula | C22H22N8O9S3 |
| Molecular Weight | 638.653 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:37:55 GMT 2025
by
admin
on
Mon Mar 31 21:37:55 GMT 2025
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| Record UNII |
I48ZW9LG54
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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I48ZW9LG54
Created by
admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025
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76972069
Created by
admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|