Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H21NS.C4H6O5 |
Molecular Weight | 429.529 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(CC(O)=O)C(O)=O.CN1CCC(CC1)=C2C3=C(CCC4=C2C=CC=C4)SC=C3
InChI
InChIKey=IWAWCPZVTXCFKD-UHFFFAOYSA-N
InChI=1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
Molecular Formula | C4H6O5 |
Molecular Weight | 134.0874 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C19H21NS |
Molecular Weight | 295.442 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 06:18:26 UTC 2023
by
admin
on
Sat Dec 16 06:18:26 UTC 2023
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Record UNII |
99O99YVR4C
|
Record Status |
Validated (UNII)
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Record Version |
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-
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99O99YVR4C
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SUB20724
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100000090350
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758899
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50213
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168993
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DTXSID60966214
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m8899
Created by
admin on Sat Dec 16 06:18:26 UTC 2023 , Edited by admin on Sat Dec 16 06:18:26 UTC 2023
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PRIMARY | Merck Index | ||
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5189-11-7
Created by
admin on Sat Dec 16 06:18:26 UTC 2023 , Edited by admin on Sat Dec 16 06:18:26 UTC 2023
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235747
Created by
admin on Sat Dec 16 06:18:26 UTC 2023 , Edited by admin on Sat Dec 16 06:18:26 UTC 2023
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225-970-4
Created by
admin on Sat Dec 16 06:18:26 UTC 2023 , Edited by admin on Sat Dec 16 06:18:26 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |