Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C22H23F4N5OS.2C4H6O6.3H2O |
| Molecular Weight | 1317.239 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.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.CN6C(SCCCN7C[C@@H]8C[C@@]8(C7)C9=CC=C(C=C9F)C(F)(F)F)=NN=C6C%10=C(C)N=CO%10
InChI
InChIKey=ZSQRMUCJNSWJPL-AAMGSAFESA-N
InChI=1S/2C22H23F4N5OS.2C4H6O6.3H2O/c2*1-13-18(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;2*5-1(3(7)8)2(6)4(9)10;;;/h2*4-5,8,12,15H,3,6-7,9-11H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10);3*1H2/t2*15-,21-;2*1-,2-;;;/m0011.../s1
| 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 | C22H23F4N5OS |
| Molecular Weight | 481.51 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:21:13 GMT 2025
by
admin
on
Mon Mar 31 18:21:13 GMT 2025
|
| Record UNII |
015F06XTHY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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015F06XTHY
Created by
admin on Mon Mar 31 18:21:13 GMT 2025 , Edited by admin on Mon Mar 31 18:21:13 GMT 2025
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PRIMARY | |||
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131634699
Created by
admin on Mon Mar 31 18:21:13 GMT 2025 , Edited by admin on Mon Mar 31 18:21:13 GMT 2025
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PRIMARY | |||
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1008521-09-2
Created by
admin on Mon Mar 31 18:21:13 GMT 2025 , Edited by admin on Mon Mar 31 18:21:13 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
PARENT -> SALT/SOLVATE | |||
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |