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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33F7N4O2
Molecular Weight 590.576
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,4S)-4-((2-(ACETYLAMINO)ETHYL)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](C[C@@H]1C2=C(C)C=C(F)C=C2)NCCNC(C)=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=GFVSLDANFPBOML-WSNNEZGNSA-N
InChI=1S/C28H33F7N4O2/c1-16-11-22(29)5-6-24(16)25-15-23(37-9-8-36-18(3)40)7-10-39(25)26(41)38(4)17(2)19-12-20(27(30,31)32)14-21(13-19)28(33,34)35/h5-6,11-14,17,23,25,37H,7-10,15H2,1-4H3,(H,36,40)/t17-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H33F7N4O2
Molecular Weight 590.576
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 15:40:47 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:47 GMT 2023
Record UNII
HC6ASK2UR8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,4S)-4-((2-(ACETYLAMINO)ETHYL)AMINO)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE
Systematic Name English
GSK517142
Code English
GSK 517142
Code English
1-PIPERIDINECARBOXAMIDE, 4-((2-(ACETYLAMINO)ETHYL)AMINO)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-, (2R,4S)-
Systematic Name English
CASOPITANT METABOLITE M31
Common Name English
Code System Code Type Description
CAS
921207-33-2
Created by admin on Sat Dec 16 15:40:47 GMT 2023 , Edited by admin on Sat Dec 16 15:40:47 GMT 2023
PRIMARY
PUBCHEM
12001282
Created by admin on Sat Dec 16 15:40:47 GMT 2023 , Edited by admin on Sat Dec 16 15:40:47 GMT 2023
PRIMARY
FDA UNII
HC6ASK2UR8
Created by admin on Sat Dec 16 15:40:47 GMT 2023 , Edited by admin on Sat Dec 16 15:40:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA