Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H24N2O2.4H2O.H2O4S |
Molecular Weight | 494.556 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.OS(O)(=O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=C4C=C(OC)C=CC4=NC=C3
InChI
InChIKey=GFKRMXVYTDHLDX-KWVNHBFUSA-N
InChI=1S/C20H24N2O2.H2O4S.4H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);4*1H2/t13-,14-,19+,20-;;;;;/m0...../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 | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C20H24N2O2 |
Molecular Weight | 324.4168 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:41:07 UTC 2023
by
admin
on
Sat Dec 16 09:41:07 UTC 2023
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Record UNII |
X5854870VT
|
Record Status |
Validated (UNII)
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Record Version |
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-
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X5854870VT
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SUB185340
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100000171732
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23624026
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6151-39-9
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DTXSID70977073
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m9446
Created by
admin on Sat Dec 16 09:41:07 UTC 2023 , Edited by admin on Sat Dec 16 09:41:07 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |