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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19F3N6O2
Molecular Weight 408.3777
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(1H-PYRROLO(2,3-B)PYRIDINE)-2-HYDROXY-1H-PYRROLO(2,3-B)PYRIDINE-DECERNOTINIB

SMILES

CC[C@@](C)(NC1=NC(=NC=C1)C2=C(O)NC3=NC=CC=C23)C(=O)NCC(F)(F)F

InChI

InChIKey=KOXIYRBHKNORQD-QGZVFWFLSA-N
InChI=1S/C18H19F3N6O2/c1-3-17(2,16(29)24-9-18(19,20)21)27-11-6-8-23-14(25-11)12-10-5-4-7-22-13(10)26-15(12)28/h4-8,28H,3,9H2,1-2H3,(H,22,26)(H,24,29)(H,23,25,27)/t17-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DES(1H-PYRROLO(2,3-B)PYRIDINE)-2-HYDROXY-1H-PYRROLO(2,3-B)PYRIDINE-DECERNOTINIB
Common Name English
BUTANAMIDE, 2-((2-(2-HYDROXY-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)-4-PYRIMIDINYL)AMINO)-2-METHYL-N-(2,2,2-TRIFLUOROETHYL)-, (2R)-
Systematic Name English
DECERNOTINIB METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
136949532
Created by admin on Sat Dec 16 17:54:22 GMT 2023 , Edited by admin on Sat Dec 16 17:54:22 GMT 2023
PRIMARY
CAS
1661872-93-0
Created by admin on Sat Dec 16 17:54:22 GMT 2023 , Edited by admin on Sat Dec 16 17:54:22 GMT 2023
PRIMARY
FDA UNII
DA7D4PJ37T
Created by admin on Sat Dec 16 17:54:22 GMT 2023 , Edited by admin on Sat Dec 16 17:54:22 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of DECERNOTINIB
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