Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C14H13N3O4S2.C7H17NO5.H2O |
Molecular Weight | 564.63 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C3=C(C=CC=C3)S1(=O)=O
InChI
InChIKey=SDOHSQSLGJYQKT-BMWGJIJESA-N
InChI=1S/C14H13N3O4S2.C7H17NO5.H2O/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2;1-8-2-4(10)6(12)7(13)5(11)3-9;/h3-7,18H,1-2H3,(H,15,16,19);4-13H,2-3H2,1H3;1H2/t;4-,5+,6+,7+;/m.0./s1
Molecular Formula | C7H17NO5 |
Molecular Weight | 195.2136 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C14H13N3O4S2 |
Molecular Weight | 351.401 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:25:01 UTC 2023
by
admin
on
Fri Dec 15 16:25:01 UTC 2023
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Record UNII |
VBD44UY6G5
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID60179180
Created by
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71587667
Created by
admin on Fri Dec 15 16:25:02 UTC 2023 , Edited by admin on Fri Dec 15 16:25:02 UTC 2023
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VBD44UY6G5
Created by
admin on Fri Dec 15 16:25:02 UTC 2023 , Edited by admin on Fri Dec 15 16:25:02 UTC 2023
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244241-53-0
Created by
admin on Fri Dec 15 16:25:02 UTC 2023 , Edited by admin on Fri Dec 15 16:25:02 UTC 2023
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