Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H26F2N6OS.C4H6O4 |
| Molecular Weight | 614.663 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.O[C@@H](CSC1=C2N=CN=C2N=CN1)CN3CCN(CC3)C(C4=CC=C(F)C=C4)C5=CC=C(F)C=C5
InChI
InChIKey=HITUQCDKZKCYIZ-ZMBIFBSDSA-N
InChI=1S/C25H26F2N6OS.C4H6O4/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25;5-3(6)1-2-4(7)8/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31);1-2H2,(H,5,6)(H,7,8)/t21-;/m1./s1
| Molecular Formula | C25H26F2N6OS |
| Molecular Weight | 496.575 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 10:51:52 GMT 2023
by
admin
on
Sat Dec 16 10:51:52 GMT 2023
|
| Record UNII |
8U1ZEV20DQ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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8U1ZEV20DQ
Created by
admin on Sat Dec 16 10:51:52 GMT 2023 , Edited by admin on Sat Dec 16 10:51:52 GMT 2023
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PRIMARY | |||
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76959922
Created by
admin on Sat Dec 16 10:51:52 GMT 2023 , Edited by admin on Sat Dec 16 10:51:52 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
