Salmeterol

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Systematic / IUPAC Name: 2-(Hydroxymethyl)-4-{1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl}phenol

ID: Reference2265

Other Names: Astmerole;
Aeromax;
Salmeterolum;
Salmaterol;
2-(Hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenylbutyl)oxy]hexyl}amino)ethyl]phenol

Formula: C25H37NO4

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Salmeterol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2015 10:39:04 AM
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Identificators

InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
InChI Key GIIZNNXWQWCKIB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O
CAS 89365504
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Other Names Astmerole;
Aeromax;
Salmeterolum;
Salmaterol;
2-(Hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenylbutyl)oxy]hexyl}amino)ethyl]phenol;
4-(1-Hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol

In Other Databases

ChemSpider 4968
ChEBI CHEBI:64064
ChemIDPlus 094749083; 089365504; 136112011
ChEMBL CHEMBL1263
Wikipedia Salmeterol
DrugBank DB00938
KEGG C07241; D00687; D05792
PubChem 5152