Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H31FN6O2.CH4O3S |
| Molecular Weight | 586.678 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.C[C@@H]1CCCN1C2=NC(=CC(=N2)C3=CC=C(F)C=C3)N4CCN(C[C@H]4C)C5=NC=C(C=C5C)C(O)=O
InChI
InChIKey=RYLIMKGOFDRDRX-STYNFMPRSA-N
InChI=1S/C27H31FN6O2.CH4O3S/c1-17-13-21(26(35)36)15-29-25(17)32-11-12-33(19(3)16-32)24-14-23(20-6-8-22(28)9-7-20)30-27(31-24)34-10-4-5-18(34)2;1-5(2,3)4/h6-9,13-15,18-19H,4-5,10-12,16H2,1-3H3,(H,35,36);1H3,(H,2,3,4)/t18-,19-;/m1./s1
| Molecular Formula | C27H31FN6O2 |
| Molecular Weight | 490.5724 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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
Mon Mar 31 22:05:54 GMT 2025
by
admin
on
Mon Mar 31 22:05:54 GMT 2025
|
| Record UNII |
X7ZL2B4O1U
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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126961388
Created by
admin on Mon Mar 31 22:05:54 GMT 2025 , Edited by admin on Mon Mar 31 22:05:54 GMT 2025
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X7ZL2B4O1U
Created by
admin on Mon Mar 31 22:05:54 GMT 2025 , Edited by admin on Mon Mar 31 22:05:54 GMT 2025
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