Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H18F3N3O.C7H8O3S |
| Molecular Weight | 545.573 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.N[C@@H](C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)C(=O)N4C[C@@H](F)C[C@H]4C#N
InChI
InChIKey=MSCWUTTUQLYJFT-QMBKNIKNSA-N
InChI=1S/C20H18F3N3O.C7H8O3S/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,16-19H,9,11,25H2;2-5H,1H3,(H,8,9,10)/t16-,17-,19-;/m0./s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C98086
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
11466916
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
811432-66-3
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
DTXSID90230915
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
T47477CUF7
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
CHEMBL2110666
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
RR-61
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
C72735
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
100000154447
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY | |||
|
SUB128908
Created by
admin on Fri Dec 15 15:29:47 UTC 2023 , Edited by admin on Fri Dec 15 15:29:47 UTC 2023
|
PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
