ASTEMIZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H31FN4O
Molecular Weight	458.5703
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASTEMIZOLE

Structure Search

SMILES

COC1=CC=C(CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(F)C=C5)C=C1

InChI

InChIKey=GXDALQBWZGODGZ-UHFFFAOYSA-N

InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C28H31FN4O
Molecular Weight	458.5703
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 `Fri Dec 15 15:55:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:26 UTC 2023`
Record UNII	7HU6337315
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ASTEMIZOLE

Official Name

English

Astemizole [WHO-DD]

Common Name

English

ASTEMIZOLE [USAN]

Common Name

English

ASTEMIZOLE [MI]

Common Name

English

astemizole [INN]

Common Name

English

ASTEMIZOLE [USP IMPURITY]

Common Name

English

1-(P-FLUOROBENZYL)-2-((1-(P-METHOXYPHENETHYL)-4-PIPERIDYL)AMINO)BENZIMIDAZOLE

Common Name

English

ASTEMIZOLE [JAN]

Common Name

English

ASTEMIZOLE [VANDF]

Common Name

English

NSC-329963

Code

English

R 43,512

Code

English

ASTEMIZOLE [HSDB]

Common Name

English

1H-BENZIMIDAZOL-2-AMINE, 1-((4-FLUOROPHENYL)METHYL)-N-(1-(2-(4-METHOXYPHENYL)ETHYL)-4-PIPERIDINYL)-

Systematic Name

English

ASTEMIZOLE [MART.]

Common Name

English

NSC-759570

Code

English

Classification Tree Code System Code

WHO-ATC

R06AX11

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

WHO-VATC

QR06AX11

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

Code System Code Type Description

SMS_ID

100000086629

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID9020110

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

CAS

68844-77-9

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

DRUG CENTRAL

249

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

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WIKIPEDIA

ASTEMIZOLE

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

ECHA (EC/EINECS)

272-441-9

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

ChEMBL

CHEMBL296419

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

HSDB

6799

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

INN

4755

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

NSC

759570

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

MERCK INDEX

m2116

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C28834

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

NSC

329963

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

EVMPD

SUB05586MIG

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

PUBCHEM

2247

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

RXCUI

42328

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB00637

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

FDA UNII

7HU6337315

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

CHEBI

2896

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

MESH

D016589

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

IUPHAR

2603

Created by admin on Fri Dec 15 15:55:26 UTC 2023 , Edited by admin on Fri Dec 15 15:55:26 UTC 2023

PRIMARY

Related Record Type Details


					P6ECO9K4CI

POLYCOMB PROTEIN EED

TARGET -> INHIBITOR

Amount:


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> INHIBITOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BIOSIMILAR -> PARENT

Interaction Type:

BINDING

Amount:

Related Record Type Details


					L460QHM1YN

DESMETHYLASTEMIZOLE

METABOLITE ACTIVE -> PARENT

Comments:

It retains antihistamine prop- erties, has a long elimination time of 9 to 13 days, and its steady-state serum concentration exceeds that of astemizole by more than 30-foId.

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					W5DCO14M05

METABOLITE ACTIVE -> PARENT

Interaction Type:

MINOR

Amount:

Related Record Type Details


					7HU6337315

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC