EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2550 - albuterol sulfate

Default Structure
ChEBI IDCHEBI:2550
ChEBI Namealbuterol sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C13H21NO3.H2O4S
Net Charge0
Average Mass576.709
Monoisotopic Mass576.27167
SMILESCC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
InChIInChI=1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
InChIKeyBNPSSFBOAGDEEL-UHFFFAOYSA-N
Roles Classification
Applications:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
albuterol sulfate (CHEBI:2550) has functional parent albuterol (CHEBI:2549)
albuterol sulfate (CHEBI:2550) has role anti-asthmatic agent (CHEBI:65023)
albuterol sulfate (CHEBI:2550) has role antispasmodic drug (CHEBI:53784)
albuterol sulfate (CHEBI:2550) has role cardiovascular drug (CHEBI:35554)
albuterol sulfate (CHEBI:2550) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms  Source
Albuterol sulfateKEGG COMPOUND
Albuterol sulphateChEMBL
BuventolChEMBL
EcoventChEMBL
HexotonalChEMBL
LoftanChEMBL
Brand Names  Source
AccunebChEMBL
Albuterol sulfate component of airsupraChEMBL
Albuterol sulfate component of combiventChEMBL
Albuterol sulfate component of duonebChEMBL
ProairChEMBL
Proair digihalerChEMBL
Manual XrefsDatabases
D00683KEGG DRUG
Registry NumbersSources
CAS:51022-70-9KEGG COMPOUND