Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H19N4O6.Na |
Molecular Weight | 398.3457 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)[N-]C(=O)C3=N2
InChI
InChIKey=YXJHJCDOUFKMBG-BMZHGHOISA-M
InChI=1S/C17H20N4O6.Na/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);/q;+1/p-1/t11-,12+,14-;/m0./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 | C17H19N4O6 |
Molecular Weight | 375.356 |
Charge | -1 |
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
Fri Dec 15 15:22:53 UTC 2023
by
admin
on
Fri Dec 15 15:22:53 UTC 2023
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Record UNII |
04SRR95RP8
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Record Status |
Validated (UNII)
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Record Version |
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-
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DBSALT002842
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100000176159
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2109051
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176853
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7681-29-0
Created by
admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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04SRR95RP8
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admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
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04SRR95RP8
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DTXSID00998130
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admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
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76964699
Created by
admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 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 |