Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H20F3IN2O5 |
| Molecular Weight | 564.2936 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(CCCC(O)=O)C1(O)CN(C1)C(=O)C2=C(NC3=CC=C(I)C=C3F)C(F)=C(F)C=C2
InChI
InChIKey=KGPLBTZFBMHXPQ-UHFFFAOYSA-N
InChI=1S/C21H20F3IN2O5/c22-13-6-5-12(19(18(13)24)26-15-7-4-11(25)8-14(15)23)20(31)27-9-21(32,10-27)16(28)2-1-3-17(29)30/h4-8,16,26,28,32H,1-3,9-10H2,(H,29,30)
| Molecular Formula | C21H20F3IN2O5 |
| Molecular Weight | 564.2936 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:40:04 GMT 2023
by
admin
on
Sat Dec 16 14:40:04 GMT 2023
|
| Record UNII |
TJS4VN7FAM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
156596518
Created by
admin on Sat Dec 16 14:40:04 GMT 2023 , Edited by admin on Sat Dec 16 14:40:04 GMT 2023
|
PRIMARY | |||
|
2171498-56-7
Created by
admin on Sat Dec 16 14:40:04 GMT 2023 , Edited by admin on Sat Dec 16 14:40:04 GMT 2023
|
PRIMARY | |||
|
TJS4VN7FAM
Created by
admin on Sat Dec 16 14:40:04 GMT 2023 , Edited by admin on Sat Dec 16 14:40:04 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
