Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H31F3N8O2.CH4O3S |
Molecular Weight | 664.699 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CN(C)CCN(C)C1=NC(OCC(F)(F)F)=C(NC2=NC=CC(=N2)C3=CN(C)C4=C3C=CC=C4)C=C1NC(=O)C=C
InChI
InChIKey=WDPGHXINXNBHAS-UHFFFAOYSA-N
InChI=1S/C28H31F3N8O2.CH4O3S/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23;1-5(2,3)4/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35);1H3,(H,2,3,4)
Molecular Formula | C28H31F3N8O2 |
Molecular Weight | 568.5933 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Sat Dec 16 15:17:12 GMT 2023
by
admin
on
Sat Dec 16 15:17:12 GMT 2023
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Record UNII |
Q09ZKD19V0
|
Record Status |
Validated (UNII)
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Record Version |
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-
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2130958-55-1
Created by
admin on Sat Dec 16 15:17:12 GMT 2023 , Edited by admin on Sat Dec 16 15:17:12 GMT 2023
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134828257
Created by
admin on Sat Dec 16 15:17:12 GMT 2023 , Edited by admin on Sat Dec 16 15:17:12 GMT 2023
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300000039572
Created by
admin on Sat Dec 16 15:17:12 GMT 2023 , Edited by admin on Sat Dec 16 15:17:12 GMT 2023
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Q09ZKD19V0
Created by
admin on Sat Dec 16 15:17:12 GMT 2023 , Edited by admin on Sat Dec 16 15:17:12 GMT 2023
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C133719
Created by
admin on Sat Dec 16 15:17:12 GMT 2023 , Edited by admin on Sat Dec 16 15:17:12 GMT 2023
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PRIMARY | NCIT |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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