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.[H][C@@]12C[C@@]1(CN(CCCSC3=NN=C(N3C)C4=C(C)N=CO4)C2)C5=C(F)C=C(C=C5)C(F)(F)F.[H][C@@]67C[C@@]6(CN(CCCSC8=NN=C(N8C)C9=C(C)N=CO9)C7)C%10=C(F)C=C(C=C%10)C(F)(F)F
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 | 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 | 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:11:18 UTC 2023
by
admin
on
Fri Dec 15 16:11:18 UTC 2023
|
| Record UNII |
015F06XTHY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
015F06XTHY
Created by
admin on Fri Dec 15 16:11:18 UTC 2023 , Edited by admin on Fri Dec 15 16:11:18 UTC 2023
|
PRIMARY | |||
|
131634699
Created by
admin on Fri Dec 15 16:11:18 UTC 2023 , Edited by admin on Fri Dec 15 16:11:18 UTC 2023
|
PRIMARY | |||
|
1008521-09-2
Created by
admin on Fri Dec 15 16:11:18 UTC 2023 , Edited by admin on Fri Dec 15 16:11:18 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
PARENT -> SALT/SOLVATE | |||
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |