Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DAP001426

Drug Information
NameSalmeterol xinafoate
SynonymsBio-0096; 94749-08-3; NCGC00094372-02; MLS001332577; UNII-6EW8Q962A5; CHEMBL1082607; Salmeterol xinafoate (JAN/USAN); Inaspir; C25H37NO4.C11H8O3; Betamican; Arial; NCGC00094372-01; NCGC00094372-04; Salmetedur; 89365-50-4 (Parent); AC1L1LPS; D00687; CID56801; 1,3-Benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-, 1-hydroxy-2-naphthalenecarboxylate (salt); salmeterol xinafoate; S5068_SIGMA; GR 33343 G; GR-33343 G; Serevent Inhaler and Disks; Serevent (TN); Dilamax; LS-94516; Salmeterol 1-hydroxy-2-naphthoate; Beglan; EU-0101100; (+/-) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol xinafoate; 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol; 1-hydroxynaphthalene-2-carboxylic acid; (+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha'-diol 1-hydroxy-2-naphthoate (salt); Ultrabeta; MLS001332578; SMR000875207; GR 33343X xinafoate; Salmeterol xinafoate [USAN]; Asmerole; MolPort-003-850-218; Serevent diskus; NCGC00094372-03
IndicationAsthma and chronic obstructive pulmonary disease
[ICD9: 490-492, 493, 494-496   ICD10: J40-J44, J45, J47]
Approved    [1]
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-1
5-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5
-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-2
0H2;1-6,12H,(H,13,14)
InChIKeyXTZNCVSCVHTPAI-UHFFFAOYSA-N
Canonical SMILESC1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=
C2O)C(=O)O    
Therapeutic ClassAnti-Asthmatic Agents
CAS NumberCAS 94749-08-3
FormulaC36H45NO7
PubChem Compound IDCID 56801.
PubChem Substance IDSID 194036.
SuperDrug ATC IDR03AC12
R03AC12
TargetBeta-2 adrenergic receptorAgonist[2][3][4][5][6]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference
Ref 2Nat Rev Drug Discov. 2003 Jan;2(1):38-51.Knockouts model the 100 best-selling drugs--will they model the next 100? To Reference
Ref 3Long-acting beta2-agonists for chronic obstructive pulmonary disease patients with poorly reversible airflow limitation. Cochrane Database Syst Rev. 2002;(3):CD001104. To Reference
Ref 4Inhaled salmeterol: a review of its efficacy in chronic obstructive pulmonary disease. Drugs Aging. 2001;18(6):441-72. To Reference
Ref 5Long-acting beta2-agonists for chronic obstructive pulmonary disease. Cochrane Database Syst Rev. 2000;(2):CD001104. To Reference
Ref 6The aliphatic oxidation of salmeterol to alpha-hydroxysalmeterol in human liver microsomes is catalyzed by CYP3A. Drug Metab Dispos. 1996 May;24(5):555-9. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543