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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24BrFN4O3
Molecular Weight 491.3537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-OXIDE VANDETANIB

SMILES

CN1(=O)CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

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 491.3537
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 Jun 26 14:53:14 UTC 2021
Edited
by admin
on Sat Jun 26 14:53:14 UTC 2021
Record UNII
K3YT3PC74T
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 14:53:14 UTC 2021 , Edited by admin on Sat Jun 26 14:53:14 UTC 2021
PRIMARY
FDA UNII
K3YT3PC74T
Created by admin on Sat Jun 26 14:53:14 UTC 2021 , Edited by admin on Sat Jun 26 14:53:14 UTC 2021
PRIMARY
PUBCHEM
99738037
Created by admin on Sat Jun 26 14:53:14 UTC 2021 , Edited by admin on Sat Jun 26 14:53:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
FECAL; PLASMA; URINE