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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18F3N5O2
Molecular Weight 333.3095
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((3R,4S)-4-ETHYL-1-(2,2,2-TRIFLUOROETHYLCARBAMOYL)PYRROLIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

SMILES

CC[C@@H]1CN(C[C@@H]1C2=CN=C(N2)C(N)=O)C(=O)NCC(F)(F)F

InChI

InChIKey=FFBIFAHBPUAUME-SFYZADRCSA-N
InChI=1S/C13H18F3N5O2/c1-2-7-4-21(12(23)19-6-13(14,15)16)5-8(7)9-3-18-11(20-9)10(17)22/h3,7-8H,2,4-6H2,1H3,(H2,17,22)(H,18,20)(H,19,23)/t7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18F3N5O2
Molecular Weight 333.3095
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:03:38 UTC 2023
Edited
by admin
on Sat Dec 16 19:03:38 UTC 2023
Record UNII
FVX82Q3ZNW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((3R,4S)-4-ETHYL-1-(2,2,2-TRIFLUOROETHYLCARBAMOYL)PYRROLIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE
Systematic Name English
UPADACITINIB METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
156613502
Created by admin on Sat Dec 16 19:03:38 UTC 2023 , Edited by admin on Sat Dec 16 19:03:38 UTC 2023
PRIMARY
FDA UNII
FVX82Q3ZNW
Created by admin on Sat Dec 16 19:03:38 UTC 2023 , Edited by admin on Sat Dec 16 19:03:38 UTC 2023
PRIMARY
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