Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H27F3N4O3S2.2ClH |
| Molecular Weight | 697.618 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.O[C@@H](CNCCC1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F)C=C1)C5=CN=CC=C5
InChI
InChIKey=CANSTXQBARAFMV-UJXPALLWSA-N
InChI=1S/C31H27F3N4O3S2.2ClH/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24;;/h1-14,16,18,20,29,36,38-39H,15,17,19H2;2*1H/t29-;;/m0../s1
| Molecular Formula | C31H27F3N4O3S2 |
| Molecular Weight | 624.696 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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
Fri Dec 15 16:38:36 GMT 2023
by
admin
on
Fri Dec 15 16:38:36 GMT 2023
|
| Record UNII |
0H68U65VD8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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0H68U65VD8
Created by
admin on Fri Dec 15 16:38:36 GMT 2023 , Edited by admin on Fri Dec 15 16:38:36 GMT 2023
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DTXSID30175336
Created by
admin on Fri Dec 15 16:38:36 GMT 2023 , Edited by admin on Fri Dec 15 16:38:36 GMT 2023
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3038499
Created by
admin on Fri Dec 15 16:38:36 GMT 2023 , Edited by admin on Fri Dec 15 16:38:36 GMT 2023
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211031-81-1
Created by
admin on Fri Dec 15 16:38:36 GMT 2023 , Edited by admin on Fri Dec 15 16:38:36 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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