Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16F3N7O.C6H8O7 |
| Molecular Weight | 571.4633 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.FC(F)(F)C1=C(NC[C@H]2CNCCO2)C=C(NC3=NC=C(N=C3)C#N)N=C1
InChI
InChIKey=KVJLAUXFVBOBLZ-RFVHGSKJSA-N
InChI=1S/C16H16F3N7O.C6H8O7/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-;/m1./s1
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H16F3N7O |
| Molecular Weight | 379.3397 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:51:12 GMT 2025
by
admin
on
Wed Apr 02 20:51:12 GMT 2025
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| Record UNII |
CM9TF248ZS
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| Record Status |
Validated (UNII)
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| Record Version |
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CM9TF248ZS
Created by
admin on Wed Apr 02 20:51:12 GMT 2025 , Edited by admin on Wed Apr 02 20:51:12 GMT 2025
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2720576-43-0
Created by
admin on Wed Apr 02 20:51:12 GMT 2025 , Edited by admin on Wed Apr 02 20:51:12 GMT 2025
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PRIMARY |
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