Ningetinib metabolite M1

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 Search

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

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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

PRIMARY

Related Record Type Details


					PW3Q92Z6A4

NINGETINIB

PARENT -> METABOLITE

Interaction Type:

MAJOR

Amount: