Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H22N2S.C4H4O4 |
Molecular Weight | 414.518 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.C[C@H](CN(C)C)CN1C2=C(SC3=C1C=CC=C3)C=CC=C2
InChI
InChIKey=WTHCVCKKSDUGIE-VIEYUMQNSA-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-/t14-;/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 | C18H22N2S |
Molecular Weight | 298.446 |
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 09:39:00 GMT 2023
by
admin
on
Sat Dec 16 09:39:00 GMT 2023
|
Record UNII |
JXM1K2014U
|
Record Status |
Validated (UNII)
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Record Version |
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-
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76963489
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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PRIMARY | |||
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36506-71-5
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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2256-36-2
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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17477
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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DTXSID70417843
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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PRIMARY | |||
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JXM1K2014U
Created by
admin on Sat Dec 16 09:39:00 GMT 2023 , Edited by admin on Sat Dec 16 09:39:00 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |