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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26F7N3O
Molecular Weight 505.4716
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,4S)-4-AMINO-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE

SMILES

C[C@@H](N(C)C(=O)N1CC[C@H](N)C[C@@H]1C2=C(C)C=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=ZGILDIJYCXWGDR-XWRIVVANSA-N
InChI=1S/C24H26F7N3O/c1-13-8-18(25)4-5-20(13)21-12-19(32)6-7-34(21)22(35)33(3)14(2)15-9-16(23(26,27)28)11-17(10-15)24(29,30)31/h4-5,8-11,14,19,21H,6-7,12,32H2,1-3H3/t14-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H26F7N3O
Molecular Weight 505.4716
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:39:05 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:05 GMT 2023
Record UNII
DW2FZ8F3ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,4S)-4-AMINO-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE
Systematic Name English
GSK2110277
Code English
GSK 2110277
Code English
1-PIPERIDINECARBOXAMIDE, 4-AMINO-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-, (2R,4S)-
Systematic Name English
CASOPITANT METABOLITE M134
Common Name English
Code System Code Type Description
PUBCHEM
57939522
Created by admin on Sat Dec 16 15:39:05 GMT 2023 , Edited by admin on Sat Dec 16 15:39:05 GMT 2023
PRIMARY
FDA UNII
DW2FZ8F3ZE
Created by admin on Sat Dec 16 15:39:05 GMT 2023 , Edited by admin on Sat Dec 16 15:39:05 GMT 2023
PRIMARY
CAS
629930-11-6
Created by admin on Sat Dec 16 15:39:05 GMT 2023 , Edited by admin on Sat Dec 16 15:39:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA