Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C18H16N8O7S3.4Na.7H2O |
Molecular Weight | 1323.194 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[H][C@]12SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C([O-])=O.[H][C@]56SCC(CSC7=NC(=O)C(=O)[N-]N7C)=C(N5C(=O)[C@H]6NC(=O)C(=N/OC)\C8=CSC(N)=N8)C([O-])=O
InChI
InChIKey=PMRZKYOXTPBIQF-MAODNAKNSA-J
InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../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 | C18H18N8O7S3 |
Molecular Weight | 554.58 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
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 15:24:54 UTC 2023
by
admin
on
Fri Dec 15 15:24:54 UTC 2023
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Record UNII |
023Z5BR09K
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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 |
C357
Created by
admin on Fri Dec 15 15:24:54 UTC 2023 , Edited by admin on Fri Dec 15 15:24:54 UTC 2023
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FDA ORPHAN DRUG |
218606
Created by
admin on Fri Dec 15 15:24:54 UTC 2023 , Edited by admin on Fri Dec 15 15:24:54 UTC 2023
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DTXSID5045887
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29007
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023Z5BR09K
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203172
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71307090
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CHEMBL161
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1098184
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m3225
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SUB127255
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104376-79-6
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DBSALT001213
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SUB01138MIG
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023Z5BR09K
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SUB29550
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C817
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IMPURITY -> PARENT |
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ACTIVE MOIETY |