Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H28BrF4N3O4.ClH |
| Molecular Weight | 650.887 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCOC(=O)CCCN[C@@H](CN1C(=O)N(CC2=C(F)C=CC=C2C(F)(F)F)C(C)=C(Br)C1=O)C3=CC=CC=C3
InChI
InChIKey=LEBGWKGQUUJGKN-FTBISJDPSA-N
InChI=1S/C27H28BrF4N3O4.ClH/c1-3-39-23(36)13-8-14-33-22(18-9-5-4-6-10-18)16-35-25(37)24(28)17(2)34(26(35)38)15-19-20(27(30,31)32)11-7-12-21(19)29;/h4-7,9-12,22,33H,3,8,13-16H2,1-2H3;1H/t22-;/m0./s1
| Molecular Formula | C27H28BrF4N3O4 |
| Molecular Weight | 614.427 |
| 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
Wed Apr 02 15:08:28 GMT 2025
by
admin
on
Wed Apr 02 15:08:28 GMT 2025
|
| Record UNII |
QTM3XJ9GGT
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
166451417
Created by
admin on Wed Apr 02 15:08:28 GMT 2025 , Edited by admin on Wed Apr 02 15:08:28 GMT 2025
|
PRIMARY | |||
|
QTM3XJ9GGT
Created by
admin on Wed Apr 02 15:08:28 GMT 2025 , Edited by admin on Wed Apr 02 15:08:28 GMT 2025
|
PRIMARY | |||
|
2617827-24-2
Created by
admin on Wed Apr 02 15:08:28 GMT 2025 , Edited by admin on Wed Apr 02 15:08:28 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
![Structure of Ethyl 4-[[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate](/img/7595d8e0-cca9-4703-8d00-9a8cafa1c54e.svg "Structure of Ethyl 4-[[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate")