Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H16N6O8S3.2Na |
| Molecular Weight | 586.53 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@]12SCC(CSC3=NN=NN3CS([O-])(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C4=CC=CC=C4)C([O-])=O
InChI
InChIKey=NAXFZVGOZUWLEP-RFXDPDBWSA-L
InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C18H16N6O8S3 |
| Molecular Weight | 540.55 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:32:47 UTC 2023
by
admin
on
Sat Dec 16 07:32:47 UTC 2023
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| Record UNII |
F74MFL78A1
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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NCI_THESAURUS |
C357
Created by
admin on Sat Dec 16 07:32:47 UTC 2023 , Edited by admin on Sat Dec 16 07:32:47 UTC 2023
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61270-78-8
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3492
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43593
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F74MFL78A1
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DTXSID0046642
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SUB01121MIG
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100000084680
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1097750
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CHEMBL1601
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DBSALT001472
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C65300
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m3200
Created by
admin on Sat Dec 16 07:32:47 UTC 2023 , Edited by admin on Sat Dec 16 07:32:47 UTC 2023
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PRIMARY | Merck Index |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |