Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H24N2OS.C4H4O4 |
Molecular Weight | 444.544 |
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=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1
InChI
InChIKey=IFLZPECPTYCEBR-VIEYUMQNSA-N
InChI=1S/C19H24N2OS.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-;/m1./s1
Molecular Formula | C19H24N2OS |
Molecular Weight | 328.472 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:51:00 UTC 2023
by
admin
on
Fri Dec 15 15:51:00 UTC 2023
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Record UNII |
5KN5Y9V01K
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C740
Created by
admin on Fri Dec 15 15:51:01 UTC 2023 , Edited by admin on Fri Dec 15 15:51:01 UTC 2023
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Code System | Code | Type | Description | ||
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7104-38-3
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SUB02909MIG
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C017901
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100000090243
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6838
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CHEMBL1764
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SUB28708
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DTXSID4045399
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160372
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admin on Fri Dec 15 15:51:01 UTC 2023 , Edited by admin on Fri Dec 15 15:51:01 UTC 2023
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5282484
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m6788
Created by
admin on Fri Dec 15 15:51:01 UTC 2023 , Edited by admin on Fri Dec 15 15:51:01 UTC 2023
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PRIMARY | Merck Index | ||
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230-412-8
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5KN5Y9V01K
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PP-32
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C66009
Created by
admin on Fri Dec 15 15:51:01 UTC 2023 , Edited by admin on Fri Dec 15 15:51:01 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |