Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H19Cl3N11O10S3.3Na |
| Molecular Weight | 965.063 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].CNC1=NC(NC2=CC(NC3=C(Cl)C(Cl)=NC(Cl)=N3)=CC=C2)=NC(NC4=CC(=CC5=CC(=C(\N=N\C6=C(C=CC=C6)S([O-])(=O)=O)C(O)=C45)S([O-])(=O)=O)S([O-])(=O)=O)=N1
InChI
InChIKey=CZBXNEJEYMCLHG-ZKAYOWDDSA-K
InChI=1S/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,45H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;/q;3*+1/p-3/b44-43+;;;
| Molecular Formula | C30H19Cl3N11O10S3 |
| Molecular Weight | 896.094 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| 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 21:06:53 GMT 2025
by
admin
on
Mon Mar 31 21:06:53 GMT 2025
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| Record UNII |
80R2QB53DN
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| Record Status |
Validated (UNII)
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| Record Version |
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72139-15-2
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80R2QB53DN
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DTXSID4041737
Created by
admin on Mon Mar 31 21:06:53 GMT 2025 , Edited by admin on Mon Mar 31 21:06:53 GMT 2025
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