Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H25F3N4O3S.H2O |
Molecular Weight | 500.534 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O[C@]1(CC[C@@H](CC1)N2CC(C2)NC(=O)CNC(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CN=CS4
InChI
InChIKey=WWTMICIGZQMWGD-RJHLRSTHSA-N
InChI=1S/C22H25F3N4O3S.H2O/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18;/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30);1H2/t17-,21-;
Molecular Formula | C22H25F3N4O3S |
Molecular Weight | 482.519 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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 08:29:51 GMT 2023
by
admin
on
Sat Dec 16 08:29:51 GMT 2023
|
Record UNII |
8J1751T2GG
|
Record Status |
Validated (UNII)
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Record Version |
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-
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8J1751T2GG
Created by
admin on Sat Dec 16 08:29:51 GMT 2023 , Edited by admin on Sat Dec 16 08:29:51 GMT 2023
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68601474
Created by
admin on Sat Dec 16 08:29:51 GMT 2023 , Edited by admin on Sat Dec 16 08:29:51 GMT 2023
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1228651-46-4
Created by
admin on Sat Dec 16 08:29:51 GMT 2023 , Edited by admin on Sat Dec 16 08:29:51 GMT 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |