Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H17Cl2N5O12S3 |
| Molecular Weight | 722.508 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(N=NC2=CC=C(C=C2)S(O)(=O)=O)C(=CC3=C1C(NC(=O)CCN4N=CC(Cl)=C(Cl)C4=O)=CC(=C3)S(O)(=O)=O)S(O)(=O)=O
InChI
InChIKey=ZDEYRLBKPOGODJ-ZQHSETAFSA-N
InChI=1S/C23H17Cl2N5O12S3/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b29-28+
| Molecular Formula | C23H17Cl2N5O12S3 |
| Molecular Weight | 722.508 |
| Charge | 0 |
| 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
Wed Apr 02 19:18:16 GMT 2025
by
admin
on
Wed Apr 02 19:18:16 GMT 2025
|
| Record UNII |
3RU7BC24E2
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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3RU7BC24E2
Created by
admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
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25848-26-4
Created by
admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
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135755723
Created by
admin on Wed Apr 02 19:18:16 GMT 2025 , Edited by admin on Wed Apr 02 19:18:16 GMT 2025
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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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![Structure of Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate](/img/f4b68e23-5422-4efb-b7ac-078a18f35aca.svg "Structure of Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulfonatophenyl)azo]naphthalene-2,7-disulfonate")