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CHEBI:31670 - hexoprenaline sulfate

ChEBI IDCHEBI:31670
ChEBI Namehexoprenaline sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H32N2O6.H2O4S
Net Charge0
Average Mass518.585
Monoisotopic Mass518.19342
SMILESO=S(=O)(O)O.Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)
InChIKeyGTDCHGNGVGRHQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
hexoprenaline sulfate (CHEBI:31670) has functional parent hexoprenaline (CHEBI:37950)
hexoprenaline sulfate (CHEBI:31670) is a ethanolamine sulfate salt (CHEBI:38016)
Synonym  Source
Hexoprenaline sulfateKEGG COMPOUND
Manual XrefsDatabases
D02396KEGG DRUG
Registry NumbersSources
CAS:32266-10-7KEGG COMPOUND