Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H22N2S.C4H4O4 |
Molecular Weight | 414.518 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(CN(C)C)CN1C2=C(SC3=C1C=CC=C3)C=CC=C2
InChI
InChIKey=WTHCVCKKSDUGIE-BTJKTKAUSA-N
InChI=1S/C18H22N2S.C4H4O4/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-3(6)1-2-4(7)8/h4-11,14H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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 | C18H22N2S |
Molecular Weight | 298.446 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:37:46 GMT 2023
by
admin
on
Fri Dec 15 19:37:46 GMT 2023
|
Record UNII |
WM80DMC045
|
Record Status |
Validated (UNII)
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Record Version |
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-
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5354697
Created by
admin on Fri Dec 15 19:37:46 GMT 2023 , Edited by admin on Fri Dec 15 19:37:46 GMT 2023
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PRIMARY | |||
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179167-82-9
Created by
admin on Fri Dec 15 19:37:46 GMT 2023 , Edited by admin on Fri Dec 15 19:37:46 GMT 2023
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PRIMARY | |||
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WM80DMC045
Created by
admin on Fri Dec 15 19:37:46 GMT 2023 , Edited by admin on Fri Dec 15 19:37:46 GMT 2023
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PRIMARY | |||
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6147-99-5
Created by
admin on Fri Dec 15 19:37:46 GMT 2023 , Edited by admin on Fri Dec 15 19:37:46 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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894766-26-8
Created by
admin on Fri Dec 15 19:37:46 GMT 2023 , Edited by admin on Fri Dec 15 19:37:46 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY |
Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |