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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClFN4O
Molecular Weight 394.829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

SMILES

NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1

InChI

InChIKey=FBSYJUVNGAMMOK-UHFFFAOYSA-N
InChI=1S/C21H16ClFN4O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11,24H2,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C21H16ClFN4O
Molecular Weight 394.829
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 Thu Jul 06 22:20:48 UTC 2023
Edited
by admin
on Thu Jul 06 22:20:48 UTC 2023
Record UNII
9XRF7KN4QK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-
Systematic Name English
N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-4,6-QUINAZOLINEDIAMINE
Systematic Name English
ALLITINIB METABOLITE M6
Common Name English
N-(3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)QUINAZOLINE-4,6-DIAMINE
Systematic Name English
4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)-6-AMINOQUINAZOLINE
Systematic Name English
Code System Code Type Description
PUBCHEM
53630477
Created by admin on Thu Jul 06 22:20:49 UTC 2023 , Edited by admin on Thu Jul 06 22:20:49 UTC 2023
PRIMARY
CAS
845271-71-8
Created by admin on Thu Jul 06 22:20:49 UTC 2023 , Edited by admin on Thu Jul 06 22:20:49 UTC 2023
PRIMARY
FDA UNII
9XRF7KN4QK
Created by admin on Thu Jul 06 22:20:49 UTC 2023 , Edited by admin on Thu Jul 06 22:20:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET->WEAK INHIBITOR
IC50
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC THREE TIMES A DAY

ORAL ADMINISTRATION

IN CANCER PATIENTS

AT DAY 1

Biological Half-life PHARMACOKINETIC IN CANCER PATIENTS

AT DAY 24

ORAL ADMINISTRATION

THREE TIMES A DAY FOR 21 DAYS

Tmax PHARMACOKINETIC AT DAY 24

ORAL ADMINISTRATION

THREE TIMES A DAY FOR 21 DAYS

IN CANCER PATIENTS

Tmax PHARMACOKINETIC AT DAY 1

ORAL ADMINISTRATION

THREE TIMES A DAY

IN CANCER PATIENTS