Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C14H13N8O4S3.Na.5H2O |
Molecular Weight | 566.565 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[Na+].[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN4C=NN=N4)C([O-])=O
InChI
InChIKey=KHQJKXHCWOHDQD-HGUWTHONSA-M
InChI=1S/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/q;+1;;;;;/p-1/t9-,12-;;;;;;/m1....../s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | C14H14N8O4S3 |
Molecular Weight | 454.507 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 06:39:20 UTC 2023
by
admin
on
Sat Dec 16 06:39:20 UTC 2023
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Record UNII |
XLJ4VSY381
|
Record Status |
Validated (UNII)
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Record Version |
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-
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115850-11-8
Created by
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SUB33474
Created by
admin on Sat Dec 16 06:39:20 UTC 2023 , Edited by admin on Sat Dec 16 06:39:20 UTC 2023
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100000127451
Created by
admin on Sat Dec 16 06:39:20 UTC 2023 , Edited by admin on Sat Dec 16 06:39:20 UTC 2023
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23678598
Created by
admin on Sat Dec 16 06:39:20 UTC 2023 , Edited by admin on Sat Dec 16 06:39:20 UTC 2023
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XLJ4VSY381
Created by
admin on Sat Dec 16 06:39:20 UTC 2023 , Edited by admin on Sat Dec 16 06:39:20 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |