Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C16H15F6N5O.2C4H6O6.H2O |
| Molecular Weight | 1132.8162 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
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.N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=C(F)C=C(F)C(F)=C3.N[C@@H](CC(=O)N4CCN5C(C4)=NN=C5C(F)(F)F)CC6=C(F)C=C(F)C(F)=C6
InChI
InChIKey=JEMGLDGZRMYQLM-RFGXFKENSA-N
InChI=1S/2C16H15F6N5O.2C4H6O6.H2O/c2*17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;2*5-1(3(7)8)2(6)4(9)10;/h2*4,6,9H,1-3,5,7,23H2;2*1-2,5-6H,(H,7,8)(H,9,10);1H2/t2*9-;2*1-,2-;/m1111./s1
| Molecular Formula | C16H15F6N5O |
| Molecular Weight | 407.3136 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( - ) |
| 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 | ( + ) |
| 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 18:19:04 UTC 2023
by
admin
on
Sat Dec 16 18:19:04 UTC 2023
|
| Record UNII |
79C7Y78XGP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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131738936
Created by
admin on Sat Dec 16 18:19:04 UTC 2023 , Edited by admin on Sat Dec 16 18:19:04 UTC 2023
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PRIMARY | |||
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79C7Y78XGP
Created by
admin on Sat Dec 16 18:19:04 UTC 2023 , Edited by admin on Sat Dec 16 18:19:04 UTC 2023
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PRIMARY | |||
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862156-93-2
Created by
admin on Sat Dec 16 18:19:04 UTC 2023 , Edited by admin on Sat Dec 16 18:19:04 UTC 2023
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PRIMARY | |||
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100000172038
Created by
admin on Sat Dec 16 18:19:04 UTC 2023 , Edited by admin on Sat Dec 16 18:19:04 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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