Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18BrF4N3O2 |
| Molecular Weight | 500.284 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(Br)C(=O)N(C[C@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(F)C=CC=C3C(F)(F)F
InChI
InChIKey=FAVHUXYGYIOABV-KRWDZBQOSA-N
InChI=1S/C21H18BrF4N3O2/c1-12-18(22)19(30)29(11-17(27)13-6-3-2-4-7-13)20(31)28(12)10-14-15(21(24,25)26)8-5-9-16(14)23/h2-9,17H,10-11,27H2,1H3/t17-/m0/s1
| Molecular Formula | C21H18BrF4N3O2 |
| Molecular Weight | 500.284 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:32:36 GMT 2025
by
admin
on
Wed Apr 02 14:32:36 GMT 2025
|
| Record UNII |
AQ74B8XH9H
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English |
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AQ74B8XH9H
Created by
admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025
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2617827-21-9
Created by
admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025
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21027676
Created by
admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of 3-[(2R)-2-Amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione hydrochloride](/img/976f70a5-a47d-4db1-b570-41ca42e91510.svg "Structure of 3-[(2R)-2-Amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione hydrochloride")