N-OXIDE VANDETANIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H24BrFN4O3
Molecular Weight	491.353
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OCC3CC[N+](C)([O-])CC3)N=CN=C2NC4=CC=C(Br)C=C4F

InChI

InChIKey=CNFXJGPXGDNUHJ-UHFFFAOYSA-N

InChI=1S/C22H24BrFN4O3/c1-28(29)7-5-14(6-8-28)12-31-21-11-19-16(10-20(21)30-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula	C22H24BrFN4O3
Molecular Weight	491.353
Charge	0
Count

Stereochemistry	RACEMIC
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 11:01:16 UTC 2023` Edited by `admin` on `Sat Dec 16 11:01:16 UTC 2023`
Record UNII	K3YT3PC74T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-OXIDE VANDETANIB

Common Name

English

VANDETANIB N-OXIDE

Common Name

English

N-OXIDE VANDETANIB METABOLITE

Common Name

English

M447882

Code

English

N-OXIDE METABOLITE OF VANDETANIB

Common Name

English

4-QUINAZOLINAMINE, N-(4-BROMO-2-FLUOROPHENYL)-6-METHOXY-7-((1-METHYL-1-OXIDO-4-PIPERIDINYL)METHOXY)-

Systematic Name

English

N-OXIDE ZD6474

Code

English

Code System Code Type Description

CAS

1797030-22-8

Created by admin on Sat Dec 16 11:01:16 UTC 2023 , Edited by admin on Sat Dec 16 11:01:16 UTC 2023

PRIMARY

FDA UNII

K3YT3PC74T

Created by admin on Sat Dec 16 11:01:16 UTC 2023 , Edited by admin on Sat Dec 16 11:01:16 UTC 2023

PRIMARY

PUBCHEM

99738037

Created by admin on Sat Dec 16 11:01:16 UTC 2023 , Edited by admin on Sat Dec 16 11:01:16 UTC 2023

PRIMARY

Related Record Type Details


					YO460OQ37K

VANDETANIB

PARENT -> METABOLITE INACTIVE

Qualification:

FECAL; PLASMA; URINE