Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C7H10FN3O2.2ClH.H2O |
| Molecular Weight | 465.2808 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C(c1cnc[nH]1)[C@@](CF)(C(=O)O)N.C(c1cnc[nH]1)[C@@](CF)(C(=O)O)N.Cl.Cl.O
InChI
InChIKey=PZBKWQFYXBXULA-RIONXHBJSA-N
InChI=1S/2C7H10FN3O2.2ClH.H2O/c2*8-3-7(9,6(12)13)1-5-2-10-4-11-5;;;/h2*2,4H,1,3,9H2,(H,10,11)(H,12,13);2*1H;1H2/t2*7-;;;/m11.../s1
| Molecular Formula | C7H10FN3O2 |
| Molecular Weight | 187.1719 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.4609 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 Jun 26 05:17:53 UTC 2021
by
admin
on
Sat Jun 26 05:17:53 UTC 2021
|
| Record UNII |
Y71AAJ0NA6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Y71AAJ0NA6
Created by
admin on Sat Jun 26 05:17:53 UTC 2021 , Edited by admin on Sat Jun 26 05:17:53 UTC 2021
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133082768
Created by
admin on Sat Jun 26 05:17:53 UTC 2021 , Edited by admin on Sat Jun 26 05:17:53 UTC 2021
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PRIMARY |
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ACTIVE MOIETY |