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

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
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.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

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
Name Type Language
TEMELASTINE
INN   MART.   USAN  
USAN   INN  
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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