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ChEBI
> Main
CHEBI:2550 - albuterol sulfate
Main
ChEBI Ontology
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ChEBI Name
albuterol sulfate
ChEBI ID
CHEBI:2550
Stars
This entity has been manually annotated by a third party.
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Formulae
2C13H21NO3.H2O4S
C26H44N2O10S
Net Charge
0
Average Mass
576.702
Monoisotopic Mass
576.27167
InChI
InChI=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)
InChIKey
BNPSSFBOAGDEEL-UHFFFAOYSA-N
SMILES
C=1(C=C(C(O)=CC1)CO)C(CNC(C)(C)C)O.S(O)(O)(=O)=O.C=1(C=C(C(=CC1)O)CO)C(CNC(C)(C)C)O
ChEBI Ontology
Outgoing
albuterol sulfate (
CHEBI:2550
)
has functional parent
albuterol (
CHEBI:2549
)
albuterol sulfate (
CHEBI:2550
)
is a
ethanolamine sulfate salt (
CHEBI:38016
)
Synonyms
Sources
Albuterol sulfate
KEGG COMPOUND
Salbutamol sulfate
KEGG COMPOUND
Ventolin
KEGG COMPOUND
Manual Xref
Database
D00683
KEGG DRUG
View more database links
Registry Number
Type
Source
51022-70-9
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017