Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H22N2OS.C4H4O4 |
Molecular Weight | 442.528 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(CN1C2=C(SC3=C1C=C(C=C3)C(C)=O)C=CC=C2)N(C)C
InChI
InChIKey=BACHEZCVYSHWLT-BTJKTKAUSA-N
InChI=1S/C19H22N2OS.C4H4O4/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,13H,12H2,1-4H3;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 | C19H22N2OS |
Molecular Weight | 326.456 |
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 20:16:33 GMT 2023
by
admin
on
Fri Dec 15 20:16:33 GMT 2023
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Record UNII |
A462855RC7
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Record Status |
Validated (UNII)
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Record Version |
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-
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25087112
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100000088280
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7455-18-7
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admin on Fri Dec 15 20:16:33 GMT 2023 , Edited by admin on Fri Dec 15 20:16:33 GMT 2023
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A462855RC7
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admin on Fri Dec 15 20:16:33 GMT 2023 , Edited by admin on Fri Dec 15 20:16:33 GMT 2023
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231-228-0
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admin on Fri Dec 15 20:16:33 GMT 2023 , Edited by admin on Fri Dec 15 20:16:33 GMT 2023
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SUB00245MIG
Created by
admin on Fri Dec 15 20:16:33 GMT 2023 , Edited by admin on Fri Dec 15 20:16:33 GMT 2023
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |