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Details

Stereochemistry ACHIRAL
Molecular Formula C27H29FN4O
Molecular Weight 444.5448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLASTEMIZOLE

SMILES

c1ccc2c(c1)[nH]c(=NC3CCN(CCc4ccc(cc4)O)CC3)n2Cc5ccc(cc5)F

InChI

InChIKey=LAGYWHSFHIMTPE-UHFFFAOYSA-N
InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C27H29FN4O
Molecular Weight 444.5448
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Torsade de pointes with an antihistamine metabolite: potassium channel blockade with desmethylastemizole.
1996 Nov 15
Block of HERG potassium channels by the antihistamine astemizole and its metabolites desmethylastemizole and norastemizole.
1999 Jun
A clinical drug library screen identifies astemizole as an antimalarial agent.
2006 Aug
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:10:44 UTC 2021
Edited
by admin
on Sat Jun 26 09:10:44 UTC 2021
Record UNII
L460QHM1YN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLASTEMIZOLE
Common Name English
PHENOL, 4-(2-(4-((1-((4-FLUOROPHENYL)METHYL)-1H-BENZIMIDAZOL-2-YL)AMINO)-1-PIPERIDINYL)ETHYL)-
Systematic Name English
R-44271
Code English
O-DEMETHYLASTEMIZOLE
Common Name English
R-44-271
Code English
Code System Code Type Description
MESH
C040463
Created by admin on Sat Jun 26 09:10:44 UTC 2021 , Edited by admin on Sat Jun 26 09:10:44 UTC 2021
PRIMARY
FDA UNII
L460QHM1YN
Created by admin on Sat Jun 26 09:10:44 UTC 2021 , Edited by admin on Sat Jun 26 09:10:44 UTC 2021
PRIMARY
EPA CompTox
73736-50-2
Created by admin on Sat Jun 26 09:10:44 UTC 2021 , Edited by admin on Sat Jun 26 09:10:44 UTC 2021
PRIMARY
PUBCHEM
155805
Created by admin on Sat Jun 26 09:10:44 UTC 2021 , Edited by admin on Sat Jun 26 09:10:44 UTC 2021
PRIMARY
CAS
73736-50-2
Created by admin on Sat Jun 26 09:10:44 UTC 2021 , Edited by admin on Sat Jun 26 09:10:44 UTC 2021
PRIMARY
Related Record Type Details
OFF-TARGET->INHIBITOR
HERG channels were expre.ssed in a mammalian (HEK 293) cell line and studied using the patch clamp technique. HKRG current
BINDING
IC50
Related Record Type Details
PARENT -> METABOLITE ACTIVE