Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H23N3O3S |
Molecular Weight | 421.512 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | ASSUMED E ISOMER SPECIFIC CAS AND COMMERCIAL MATERIAL IS E |
SHOW SMILES / InChI
SMILES
O\N=C1/C=C(OC2=CC=C(CCCN3CCOCC3)C=C12)C4=CC5=C(C=CS5)C=N4
InChI
InChIKey=ZTEDNASHAWNBKQ-NCELDCMTSA-N
InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+
Molecular Formula | C23H23N3O3S |
Molecular Weight | 421.512 |
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 13:40:17 GMT 2023
by
admin
on
Sat Dec 16 13:40:17 GMT 2023
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Record UNII |
FR50CP1D6W
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Record Status |
Validated (UNII)
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Record Version |
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-
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C170000
Created by
admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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1883329-53-0
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admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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1883329-51-8
Created by
admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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10686
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admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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FR50CP1D6W
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admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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DB15292
Created by
admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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135565465
Created by
admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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100000181512
Created by
admin on Sat Dec 16 13:40:17 GMT 2023 , Edited by admin on Sat Dec 16 13:40:17 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> AGONIST | |||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |