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Details

Stereochemistry ACHIRAL
Molecular Formula C30H27FN4O5
Molecular Weight 542.5576
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ningetinib metabolite M1

SMILES

CC1=C(C(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CC(OCC(C)(C)O)=C4)C=C2)C(=O)N(N1)C5=CC=CC=C5

InChI

InChIKey=MZOZDNQFUGPXLS-UHFFFAOYSA-N
InChI=1S/C30H27FN4O5/c1-18-27(29(37)35(34-18)20-7-5-4-6-8-20)28(36)33-19-9-12-26(23(31)15-19)40-25-13-14-32-24-16-21(10-11-22(24)25)39-17-30(2,3)38/h4-16,34,38H,17H2,1-3H3,(H,33,36)

HIDE SMILES / InChI

Molecular Formula C30H27FN4O5
Molecular Weight 542.5576
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:57 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:57 GMT 2023
Record UNII
8D7PF3P7B6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ningetinib metabolite M1
Common Name English
1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy]phenyl]-2,3-dihydro-5-methyl-3-oxo-2-phenyl-
Systematic Name English
Code System Code Type Description
FDA UNII
8D7PF3P7B6
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
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