Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H19NS.C4H4O4 |
Molecular Weight | 409.498 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=C(SC4=C2C=CC=C4)C=CC=C3
InChI
InChIKey=IPANUAHQWFDVAG-BTJKTKAUSA-N
InChI=1S/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C19H19NS |
Molecular Weight | 293.426 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Sat Dec 16 04:54:44 UTC 2023
by
admin
on
Sat Dec 16 04:54:44 UTC 2023
|
Record UNII |
U22U244M9X
|
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 |
C29578
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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Code System | Code | Type | Description | ||
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236-141-1
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY | |||
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DTXSID7045863
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY | |||
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U22U244M9X
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY | |||
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13187-06-9
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY | |||
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C97703
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY | |||
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5702167
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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PRIMARY |
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 |