TEMELASTINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H24BrN5O
Molecular Weight	442.352
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TEMELASTINE

Structure Search

SMILES

CC1=NC=C(CC2=CNC(NCCCCC3=C(C)C=C(Br)C=N3)=NC2=O)C=C1

InChI

InChIKey=OGEAASSLWZDQBM-UHFFFAOYSA-N

InChI=1S/C21H24BrN5O/c1-14-9-18(22)13-25-19(14)5-3-4-8-23-21-26-12-17(20(28)27-21)10-16-7-6-15(2)24-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C21H24BrN5O
Molecular Weight	442.352
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2875907 | https://www.ncbi.nlm.nih.gov/pubmed/2875234

Temelastine (also known as SK&F 93944) is a competitive histamine H1-receptor antagonist, which does not penetrate the central nervous system. This drug was studied as an anti-allergic agent. Experiments on animals have shown that the drug was efficacious vs. pharmacologic and antigen-induced bronchoconstriction.

CNS Activity

Approval Year

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Sample Use Guides

In Vivo Use Guide

In twelve subjects single oral doses of 50, 100 and 200 mg of temelastine produced dose-dependent reductions in wheal areas.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:29:24 GMT 2023` Edited by `admin` on `Sat Dec 16 16:29:24 GMT 2023`
Record UNII	BF6IGI53XH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TEMELASTINE

Official Name

English

temelastine [INN]

Common Name

English

2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-4(1H)-PYRIMIDINONE

Systematic Name

English

SK&F-93944

Code

English

TEMELASTINE [MART.]

Common Name

English

4(1H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-

Systematic Name

English

TEMELASTINE [USAN]

Common Name

English

SK&F 93944

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29578

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

Code System Code Type Description

SMS_ID

100000082446

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

MESH

C049054

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

EVMPD

SUB10882MIG

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

ChEMBL

CHEMBL70598

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

EPA CompTox

DTXSID60235437

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

USAN

X-72

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

FDA UNII

BF6IGI53XH

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

PUBCHEM

55482

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

CAS

86181-42-2

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

NCI_THESAURUS

C73058

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

INN

5868

Created by admin on Sat Dec 16 16:29:26 GMT 2023 , Edited by admin on Sat Dec 16 16:29:26 GMT 2023

PRIMARY

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Interaction Type:

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ACTIVE MOIETY