Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H22ClF3N6O3.C6H6O3S |
| Molecular Weight | 705.104 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.CC2=NN(C=C2)C3=C(C=CC(Cl)=C3)[C@@H](OC4=NC(N)=NC(=C4)C5=CC=C(C[C@H](N)C(O)=O)C=C5)C(F)(F)F
InChI
InChIKey=WYZQOTLDKIRRDC-VNJAQMQMSA-N
InChI=1S/C25H22ClF3N6O3.C6H6O3S/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37;7-10(8,9)6-4-2-1-3-5-6/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33);1-5H,(H,7,8,9)/t18-,22+;/m0./s1
| Molecular Formula | C25H22ClF3N6O3 |
| Molecular Weight | 546.929 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:01:40 UTC 2023
by
admin
on
Sat Dec 16 04:01:40 UTC 2023
|
| Record UNII |
4NUK2IW1VH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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56962367
Created by
admin on Sat Dec 16 04:01:40 UTC 2023 , Edited by admin on Sat Dec 16 04:01:40 UTC 2023
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4NUK2IW1VH
Created by
admin on Sat Dec 16 04:01:40 UTC 2023 , Edited by admin on Sat Dec 16 04:01:40 UTC 2023
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1374745-52-4
Created by
admin on Sat Dec 16 04:01:40 UTC 2023 , Edited by admin on Sat Dec 16 04:01:40 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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