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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22BrFN4O2
Molecular Weight 461.3277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL VANDETANIB

SMILES

COc1cc2c(cc1OCC3CCNCC3)ncnc2Nc4ccc(cc4F)Br

InChI

InChIKey=HTCPERSEGREUFC-UHFFFAOYSA-N
InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C21H22BrFN4O2
Molecular Weight 461.3277
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 Jun 26 11:37:59 UTC 2021
Edited
by admin
on Sat Jun 26 11:37:59 UTC 2021
Record UNII
K4I43R5TNP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL VANDETANIB
Common Name English
N-DESMETHYL-ZD6474
Code English
4-(4-BROMO-2-FLUOROANILINO)-6-METHOXY-7-((PIPERIDIN-4-YL)METHOXY)QUINAZOLINE
Systematic Name English
4-QUINAZOLINAMINE, N-(4-BROMO-2-FLUOROPHENYL)-6-METHOXY-7-(4-PIPERIDINYLMETHOXY)-
Systematic Name English
M382558
Code English
N-DESMETHYL METABOLITE OF VANDETANIB
Common Name English
N-DESMETHYLVANDETANIB
Common Name English
J1.720.299E
Code English
Code System Code Type Description
EPA CompTox
338992-12-4
Created by admin on Sat Jun 26 11:37:59 UTC 2021 , Edited by admin on Sat Jun 26 11:37:59 UTC 2021
PRIMARY
PUBCHEM
5329048
Created by admin on Sat Jun 26 11:37:59 UTC 2021 , Edited by admin on Sat Jun 26 11:37:59 UTC 2021
PRIMARY
CAS
338992-12-4
Created by admin on Sat Jun 26 11:37:59 UTC 2021 , Edited by admin on Sat Jun 26 11:37:59 UTC 2021
PRIMARY
FDA UNII
K4I43R5TNP
Created by admin on Sat Jun 26 11:37:59 UTC 2021 , Edited by admin on Sat Jun 26 11:37:59 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR
FECAL; PLASMA; URINE