Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H14F7N5O2.C6H6O3S |
| Molecular Weight | 671.543 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.O[C@@](CN2C=NN=N2)(C3=C(F)C=C(F)C=C3)C(F)(F)C4=CC=C(C=N4)C5=CC=C(OC(F)(F)F)C=C5
InChI
InChIKey=RWKAYIXGCZGIKU-BDQAORGHSA-N
InChI=1S/C22H14F7N5O2.C6H6O3S/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29;7-10(8,9)6-4-2-1-3-5-6/h1-10,12,35H,11H2;1-5H,(H,7,8,9)/t20-;/m0./s1
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C22H14F7N5O2 |
| Molecular Weight | 513.3677 |
| 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
Sat Dec 16 11:15:42 GMT 2023
by
admin
on
Sat Dec 16 11:15:42 GMT 2023
|
| Record UNII |
0286108BMM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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100000183400
Created by
admin on Sat Dec 16 11:15:42 GMT 2023 , Edited by admin on Sat Dec 16 11:15:42 GMT 2023
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PRIMARY | |||
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1809323-18-9
Created by
admin on Sat Dec 16 11:15:42 GMT 2023 , Edited by admin on Sat Dec 16 11:15:42 GMT 2023
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PRIMARY | |||
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0286108BMM
Created by
admin on Sat Dec 16 11:15:42 GMT 2023 , Edited by admin on Sat Dec 16 11:15:42 GMT 2023
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PRIMARY | |||
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91886001
Created by
admin on Sat Dec 16 11:15:42 GMT 2023 , Edited by admin on Sat Dec 16 11:15:42 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |