Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H26N2O2S.C4H6O4 |
Molecular Weight | 500.607 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN1CCC[C@@H]1CC2=CNC3=C2C=C(CCS(=O)(=O)C4=CC=CC=C4)C=C3
InChI
InChIKey=SYWHMGMNOKNVGL-FSRHSHDFSA-N
InChI=1S/C22H26N2O2S.C4H6O4/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;5-3(6)1-2-4(7)8/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1-2H2,(H,5,6)(H,7,8)/t19-;/m1./s1
Molecular Formula | C22H26N2O2S |
Molecular Weight | 382.519 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
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 12:12:33 UTC 2023
by
admin
on
Sat Dec 16 12:12:33 UTC 2023
|
Record UNII |
92AD31CQ59
|
Record Status |
Validated (UNII)
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Record Version |
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-
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68966951
Created by
admin on Sat Dec 16 12:12:33 UTC 2023 , Edited by admin on Sat Dec 16 12:12:33 UTC 2023
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143577-61-1
Created by
admin on Sat Dec 16 12:12:33 UTC 2023 , Edited by admin on Sat Dec 16 12:12:33 UTC 2023
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PRIMARY | |||
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92AD31CQ59
Created by
admin on Sat Dec 16 12:12:33 UTC 2023 , Edited by admin on Sat Dec 16 12:12:33 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |