Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H26N9O8S2.Na |
Molecular Weight | 667.649 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)C5=CC=C(O)C=C5)C([O-])=O
InChI
InChIKey=NCFTXMQPRQZFMZ-WERGMSTESA-M
InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./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 | C25H26N9O8S2 |
Molecular Weight | 644.659 |
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 16:27:34 UTC 2023
by
admin
on
Fri Dec 15 16:27:34 UTC 2023
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Record UNII |
5FQG9774WD
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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 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT001470
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23663974
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758173
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3493
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263-751-5
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DTXSID6045874
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62893-20-3
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5FQG9774WD
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admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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SUB01122MIG
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m3201
Created by
admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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PRIMARY | Merck Index | ||
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C47435
Created by
admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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100000092626
Created by
admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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CHEMBL507674
Created by
admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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227214
Created by
admin on Fri Dec 15 16:27:34 UTC 2023 , Edited by admin on Fri Dec 15 16:27:34 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |