Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H26ClNO4S |
| Molecular Weight | 471.996 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(C=C2CCN(C)CCC2=C1)S(=O)(=O)C3=CC=C(OCC4=CC=C(Cl)C=C4)C=C3
InChI
InChIKey=HIBWHHQXUSKNOV-UHFFFAOYSA-N
InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3
| Molecular Formula | C25H26ClNO4S |
| Molecular Weight | 471.996 |
| 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
Tue Apr 01 22:15:50 GMT 2025
by
admin
on
Tue Apr 01 22:15:50 GMT 2025
|
| Record UNII |
ZNP5SNF9FY
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| Record Status |
Validated (UNII)
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| Record Version |
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1111896-95-7
Created by
admin on Tue Apr 01 22:15:50 GMT 2025 , Edited by admin on Tue Apr 01 22:15:50 GMT 2025
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NO STRUCTURE GIVEN |
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IN-VIVO HUMAN HUMAN OCCUPANCY LEVEL; 30% D2 occupancy at Tmax, maintained at trough
ANTAGONIST
EC50
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TARGET -> INHIBITOR |
IN-VIVO HUMAN HUMAN OCCUPANCY LEVEL; . 5-HT2A occupancy ranged from 91% to 100% when dosed at 56 mg
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EC50
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TARGET -> INHIBITOR |
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Ki
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> SUBSTRATE |
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ACTIVE MOIETY |
