Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21F3N4O.H2O4S |
| Molecular Weight | 488.481 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CN1CC[C@@]2(CC[C@@H](N2)C3=NC(=CC(C)=N3)C4=CC=C(C=C4)C(F)(F)F)C1=O
InChI
InChIKey=WUULVIOWIRBAFW-WSCVZUBPSA-N
InChI=1S/C20H21F3N4O.H2O4S/c1-12-11-16(13-3-5-14(6-4-13)20(21,22)23)25-17(24-12)15-7-8-19(26-15)9-10-27(2)18(19)28;1-5(2,3)4/h3-6,11,15,26H,7-10H2,1-2H3;(H2,1,2,3,4)/t15-,19+;/m1./s1
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C20H21F3N4O |
| Molecular Weight | 390.4021 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:17:30 UTC 2023
by
admin
on
Sat Dec 16 20:17:30 UTC 2023
|
| Record UNII |
K72X7BT2CF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1496563-31-5
Created by
admin on Sat Dec 16 20:17:30 UTC 2023 , Edited by admin on Sat Dec 16 20:17:30 UTC 2023
|
PRIMARY | |||
|
K72X7BT2CF
Created by
admin on Sat Dec 16 20:17:30 UTC 2023 , Edited by admin on Sat Dec 16 20:17:30 UTC 2023
|
PRIMARY | |||
|
72548434
Created by
admin on Sat Dec 16 20:17:30 UTC 2023 , Edited by admin on Sat Dec 16 20:17:30 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|