Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H30N2O2S.C4H4O4 |
Molecular Weight | 502.623 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.COC1=C(CNCC[C@]2(CCOC3(CCCC3)C2)C4=NC=CC=C4)SC=C1
InChI
InChIKey=LJQUAERICCVBQQ-CMABEYDLSA-N
InChI=1S/C22H30N2O2S.C4H4O4/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22;5-3(6)1-2-4(7)8/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-;/m1./s1
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C22H30N2O2S |
Molecular Weight | 386.551 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:05:47 GMT 2023
by
admin
on
Sat Dec 16 18:05:47 GMT 2023
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Record UNII |
0JE2QYQ7CW
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Record Status |
Validated (UNII)
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Record Version |
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-
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1467617-09-9
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0JE2QYQ7CW
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m12219
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138911459
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2392633
Created by
admin on Sat Dec 16 18:05:47 GMT 2023 , Edited by admin on Sat Dec 16 18:05:47 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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