Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H23F4N5OS.C4H6O6 |
| Molecular Weight | 631.596 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1C(SCCCN2C[C@@H]3C[C@@]3(C2)C4=CC=C(C=C4F)C(F)(F)F)=NN=C1C5=C(C)N=CO5
InChI
InChIKey=OTXHYNSABCZZKN-JCMKDLKJSA-N
InChI=1S/C22H23F4N5OS.C4H6O6/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26;5-1(3(7)8)2(6)4(9)10/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t15-,21-;1-,2-/m01/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C22H23F4N5OS |
| Molecular Weight | 481.51 |
| 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 18:28:06 GMT 2025
by
admin
on
Mon Mar 31 18:28:06 GMT 2025
|
| Record UNII |
OF90MI59MG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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OF90MI59MG
Created by
admin on Mon Mar 31 18:28:06 GMT 2025 , Edited by admin on Mon Mar 31 18:28:06 GMT 2025
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PRIMARY | |||
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131842268
Created by
admin on Mon Mar 31 18:28:06 GMT 2025 , Edited by admin on Mon Mar 31 18:28:06 GMT 2025
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PRIMARY | |||
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1008521-08-1
Created by
admin on Mon Mar 31 18:28:06 GMT 2025 , Edited by admin on Mon Mar 31 18:28:06 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS | |||
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |