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-BOXHHOBZSA-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-;/m0./s1
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 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:51:51 GMT 2023
by
admin
on
Sat Dec 16 10:51:51 GMT 2023
|
Record UNII |
4123E0EV85
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
Code System | Code | Type | Description | ||
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76959923
Created by
admin on Sat Dec 16 10:51:51 GMT 2023 , Edited by admin on Sat Dec 16 10:51:51 GMT 2023
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PRIMARY | |||
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4123E0EV85
Created by
admin on Sat Dec 16 10:51:51 GMT 2023 , Edited by admin on Sat Dec 16 10:51:51 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |