Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H21FN7O10S3.3Na |
| Molecular Weight | 835.702 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].CCN(C1=CC=CC=C1)C2=NC(NC3=CC4=C(C=C3)C(O)=C(\N=N\C5=CC=C6C(=CC=CC6=C5S([O-])(=O)=O)S([O-])(=O)=O)C(=C4)S([O-])(=O)=O)=NC(F)=N2
InChI
InChIKey=HUBCJMNHXBJUAT-CKWCPUEPSA-K
InChI=1S/C31H24FN7O10S3.3Na/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3/b38-37+;;;
| 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 | C31H21FN7O10S3 |
| Molecular Weight | 766.733 |
| Charge | -3 |
| 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 23:43:46 GMT 2025
by
admin
on
Mon Mar 31 23:43:46 GMT 2025
|
| Record UNII |
874Y3BN4M8
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| Record Status |
Validated (UNII)
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| Record Version |
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89923-44-4
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874Y3BN4M8
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289-537-1
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DTXSID80890426
Created by
admin on Mon Mar 31 23:43:46 GMT 2025 , Edited by admin on Mon Mar 31 23:43:46 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid](/img/3b0487d8-ce3a-4432-a86d-e3e8b709a318.svg "Structure of 2-[2-[6-[[4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid")