Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H34N3O9PS.2Na |
Molecular Weight | 629.57 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CC(C)CN(C[C@@H](OP([O-])([O-])=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)S(=O)(=O)C3=CC=C(N)C=C3
InChI
InChIKey=FZMGUXZZROZJIT-KMIZVRHLSA-L
InChI=1S/C25H36N3O9PS.2Na/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);;/q;2*+1/p-2/t21-,23-,24+;;/m0../s1
Molecular Formula | C25H34N3O9PS |
Molecular Weight | 583.591 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:26:24 UTC 2023
by
admin
on
Fri Dec 15 16:26:24 UTC 2023
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Record UNII |
XSG28FSA0W
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C783
Created by
admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
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DTXSID20177208
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C72786
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CHEMBL1664
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admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
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131537
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XSG28FSA0W
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226700-80-7
Created by
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DBSALT002341
Created by
admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
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LL-35
Created by
admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |