Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H24N2O4S.CH4O3S.2H2O |
Molecular Weight | 556.649 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CS(O)(=O)=O.CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC3=CC=C(C=C3)C(O)=O
InChI
InChIKey=HIUNDVRJXJGSGV-KMDBKMSFSA-N
InChI=1S/C23H24N2O4S.CH4O3S.2H2O/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4;;/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4);2*1H2/b18-12+;;;
Molecular Formula | C23H24N2O4S |
Molecular Weight | 424.513 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
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 |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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
Sat Dec 16 09:29:46 UTC 2023
by
admin
on
Sat Dec 16 09:29:46 UTC 2023
|
Record UNII |
9G2HB74868
|
Record Status |
Validated (UNII)
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Record Version |
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-
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SUB127293
Created by
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100000153337
Created by
admin on Sat Dec 16 09:29:46 UTC 2023 , Edited by admin on Sat Dec 16 09:29:46 UTC 2023
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197855-71-3
Created by
admin on Sat Dec 16 09:29:46 UTC 2023 , Edited by admin on Sat Dec 16 09:29:46 UTC 2023
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9G2HB74868
Created by
admin on Sat Dec 16 09:29:46 UTC 2023 , Edited by admin on Sat Dec 16 09:29:46 UTC 2023
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9872439
Created by
admin on Sat Dec 16 09:29:46 UTC 2023 , Edited by admin on Sat Dec 16 09:29:46 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |