Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H15F6N5O.C4H6O5 |
| Molecular Weight | 541.4011 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CC(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
InChI
InChIKey=ASAFEPPKGUGNEZ-AMMWVCRBSA-N
InChI=1S/C16H15F6N5O.C4H6O5/c17-10-6-12(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;5-2(4(8)9)1-3(6)7/h4,6,9H,1-3,5,7,23H2;2,5H,1H2,(H,6,7)(H,8,9)/t9-;2-/m10/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 | C4H6O5 |
| Molecular Weight | 134.0874 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:07:23 UTC 2023
by
admin
on
Sat Dec 16 18:07:23 UTC 2023
|
| Record UNII |
6Q9M3E3GG7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1240039-02-4
Created by
admin on Sat Dec 16 18:07:23 UTC 2023 , Edited by admin on Sat Dec 16 18:07:23 UTC 2023
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PRIMARY | |||
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163203575
Created by
admin on Sat Dec 16 18:07:23 UTC 2023 , Edited by admin on Sat Dec 16 18:07:23 UTC 2023
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PRIMARY | |||
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6Q9M3E3GG7
Created by
admin on Sat Dec 16 18:07:23 UTC 2023 , Edited by admin on Sat Dec 16 18:07:23 UTC 2023
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PRIMARY | |||
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100000166760
Created by
admin on Sat Dec 16 18:07:23 UTC 2023 , Edited by admin on Sat Dec 16 18:07:23 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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