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 | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:07:12 GMT 2025
by
admin
on
Mon Mar 31 22:07:12 GMT 2025
|
| Record UNII |
8J1751T2GG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
8J1751T2GG
Created by
admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
|
PRIMARY | |||
|
300000051573
Created by
admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
|
PRIMARY | |||
|
68601474
Created by
admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
|
PRIMARY | |||
|
1228651-46-4
Created by
admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |