Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H12Br2O4 |
| Molecular Weight | 440.083 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C3=C(O1)C=C(O)C=C3
InChI
InChIKey=FEXBXMFVRKZOOZ-UHFFFAOYSA-N
InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
| Molecular Formula | C17H12Br2O4 |
| Molecular Weight | 440.083 |
| 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
Sat Dec 16 19:15:04 UTC 2023
by
admin
on
Sat Dec 16 19:15:04 UTC 2023
|
| Record UNII |
4M7NUR5V9E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
4M7NUR5V9E
Created by
admin on Sat Dec 16 19:15:04 UTC 2023 , Edited by admin on Sat Dec 16 19:15:04 UTC 2023
|
PRIMARY | |||
|
152831-00-0
Created by
admin on Sat Dec 16 19:15:04 UTC 2023 , Edited by admin on Sat Dec 16 19:15:04 UTC 2023
|
PRIMARY | |||
|
10320994
Created by
admin on Sat Dec 16 19:15:04 UTC 2023 , Edited by admin on Sat Dec 16 19:15:04 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
MAJOR
FECAL; PLASMA
|
