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Desmethylastemizole

Desmethylastemizole structure

CAS No:
73736-50-2
Formula:
C27H29FN4O
Chemical Name:
Desmethylastemizole
Synonyms:
Phenol,4-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]-;4-[2-[4-[[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]phenol;Desmethylastemizole;O-Demethylastemizole;R 44271

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Description

Desmethylastemizole is a member of benzimidazoles.

Desmethylastemizole Basic Attributes

Molecular Weight：

444.54400

Exact Mass：

444.54

UNII：

L460QHM1YN

DSSTox ID：

DTXSID10224058

Characteristics

PSA：

53.32000

XLogP3：

5.05920

Density：

1.25g/cm3

Melting Point：

92-94ºC

Boiling Point：

644.2ºC at 760 mmHg

Flash Point：

343.4ºC

Refractive Index：

1.645

Storage Conditions：

Refrigerator

Drug Information

Metabolism/Metabolites：

6-desmethylastermizole is a known human metabolite of astemizole.

MeSH Entry Terms：

demethylastemizole

Computed Properties

Molecular Weight:444.5
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:444.23253972
Monoisotopic Mass:444.23253972
Topological Polar Surface Area:53.3
Heavy Atom Count:33
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Desmethylastemizole

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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