Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H16N2S.C4H6O6 |
Molecular Weight | 370.421 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCCN=C1\C=C\C2=C(C)C=CS2
InChI
InChIKey=GGXQONWGCAQGNA-UUSVNAAPSA-N
InChI=1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;/t;1-,2-/m.1/s1
Molecular Formula | C12H16N2S |
Molecular Weight | 220.334 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
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
Fri Dec 15 15:20:51 UTC 2023
by
admin
on
Fri Dec 15 15:20:51 UTC 2023
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Record UNII |
5WF7E9QC3F
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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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CFR |
21 CFR 520.1450
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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CFR |
21 CFR 520.1450C
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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CFR |
21 CFR 520.1450A
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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NCI_THESAURUS |
C250
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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CFR |
21 CFR 556.425
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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CFR |
21 CFR 558.360
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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CFR |
21 CFR 520.1450B
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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Code System | Code | Type | Description | ||
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5WF7E9QC3F
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PRIMARY | |||
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1446906
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300000023780
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m7623
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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PRIMARY | Merck Index | ||
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6433951
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DTXSID2045575
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758647
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CHEMBL1240978
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26155-31-7
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C75222
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1368899
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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PRIMARY | RxNorm | ||
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5WF7E9QC3F
Created by
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247-481-5
Created by
admin on Fri Dec 15 15:20:51 UTC 2023 , Edited by admin on Fri Dec 15 15:20:51 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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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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||
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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 |