Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H27F3N6O.CH4O3S |
| Molecular Weight | 628.665 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=NN=C5C=CC=CN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
InChI
InChIKey=CCNAIKOABJPEAN-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O.CH4O3S/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37;1-5(2,3)4/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39);1H3,(H,2,3,4)
| Molecular Formula | C29H27F3N6O |
| Molecular Weight | 532.5595 |
| 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
Wed Apr 02 10:43:24 GMT 2025
by
admin
on
Wed Apr 02 10:43:24 GMT 2025
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| Record UNII |
372ZE79K3S
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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132020020
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2141996-20-3
Created by
admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
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372ZE79K3S
Created by
admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
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100000177372
Created by
admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
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| 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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