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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16ClFN4O2
Molecular Weight 374.7973
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-FLUOROPHENYL)-7-(((3S)-TETRAHYDRO-3-FURANYL)OXY)-

SMILES

c1cc(c(cc1Nc2c3cc(c(cc3ncn2)O[C@@]4([H])CCOC4)N)Cl)F

InChI

InChIKey=BIQABKFYKJRXII-NSHDSACASA-N
InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16ClFN4O2
Molecular Weight 374.7973
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:41:21 UTC 2021
Edited
by admin
on Sat Jun 26 15:41:21 UTC 2021
Record UNII
Q58L53U44Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-FLUOROPHENYL)-7-(((3S)-TETRAHYDRO-3-FURANYL)OXY)-
Systematic Name English
AFATINIB METABOLITE M20
Common Name English
(S)-N4-(3-CHLORO-4-FLUOROPHENYL)-7-((TETRAHYDROFURAN-3-YL)OXY)QUINAZOLINE-4,6-DIAMINE
Systematic Name English
Code System Code Type Description
CAS
314771-76-1
Created by admin on Sat Jun 26 15:41:21 UTC 2021 , Edited by admin on Sat Jun 26 15:41:21 UTC 2021
PRIMARY
FDA UNII
Q58L53U44Y
Created by admin on Sat Jun 26 15:41:21 UTC 2021 , Edited by admin on Sat Jun 26 15:41:21 UTC 2021
PRIMARY
EPA CompTox
314771-76-1
Created by admin on Sat Jun 26 15:41:21 UTC 2021 , Edited by admin on Sat Jun 26 15:41:21 UTC 2021
PRIMARY
PUBCHEM
15606392
Created by admin on Sat Jun 26 15:41:21 UTC 2021 , Edited by admin on Sat Jun 26 15:41:21 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
minor metabolite
MINOR
URINE