Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H19FN6O2.C2H4O2 |
| Molecular Weight | 466.4649 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.C[C@H]1OC2=CC(=CN=C2N)C3=C(C#N)N(C)N=C3CN(C)C(=O)C4=CC=C(F)C=C14
InChI
InChIKey=BLNAIBLTPYGILH-RFVHGSKJSA-N
InChI=1S/C21H19FN6O2.C2H4O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12;1-2(3)4/h4-7,9,11H,10H2,1-3H3,(H2,24,25);1H3,(H,3,4)/t11-;/m1./s1
| Molecular Formula | C21H19FN6O2 |
| Molecular Weight | 406.413 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| 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 15:07:43 UTC 2023
by
admin
on
Sat Dec 16 15:07:43 UTC 2023
|
| Record UNII |
TE9WI16FEU
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English | ||
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TE9WI16FEU
Created by
admin on Sat Dec 16 15:07:43 UTC 2023 , Edited by admin on Sat Dec 16 15:07:43 UTC 2023
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PRIMARY | |||
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1924207-18-0
Created by
admin on Sat Dec 16 15:07:43 UTC 2023 , Edited by admin on Sat Dec 16 15:07:43 UTC 2023
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124203822
Created by
admin on Sat Dec 16 15:07:43 UTC 2023 , Edited by admin on Sat Dec 16 15:07:43 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |