Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H20N4O11S3.2Na |
| Molecular Weight | 634.568 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].COC1=CC(=C(C)C=C1\N=N\C2=C(O)N(N=C2C)C3=CC=C(C=C3)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O
InChI
InChIKey=PGLHUFABXKUVAX-ZPZFBZIMSA-L
InChI=1S/C20H22N4O11S3.2Na/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30;;/h4-7,10-11,25H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b22-21+;;
| 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 | C20H20N4O11S3 |
| Molecular Weight | 588.588 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:11:36 GMT 2025
by
admin
on
Mon Mar 31 22:11:36 GMT 2025
|
| Record UNII |
AX00C3ZTBP
|
| Record Status |
Validated (UNII)
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| Record Version |
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| Code System | Code | Type | Description | ||
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25664-81-7
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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162961
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247-170-4
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263-417-9
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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ALTERNATIVE | |||
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DTXSID701013665
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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PRIMARY | |||
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AX00C3ZTBP
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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PRIMARY | |||
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62121-75-9
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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NON-SPECIFIC STOICHIOMETRY | |||
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12226-47-0
Created by
admin on Mon Mar 31 22:11:36 GMT 2025 , Edited by admin on Mon Mar 31 22:11:36 GMT 2025
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NO STRUCTURE GIVEN |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |