Preferred Name |
hexobendine |
|
Synonyms |
hexobendin hexabendin ditrimine hexabendine ditrymine ditrimin |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_135843 |
|
charge |
0 |
|
database_cross_reference |
CAS:54-03-5 Drug_Central:1370 |
|
formula |
C30H44N2O10 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
hexobendin hexabendin ditrimine hexabendine ditrymine ditrimin |
|
id |
CHEBI:135843 |
|
in_subset | ||
inchi |
InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3 |
|
inchikey |
KRQAMFQCSAJCRH-UHFFFAOYSA-N |
|
label |
hexobendine |
|
mass |
592.679 |
|
monoisotopicmass |
592.29960 |
|
notation |
CHEBI:135843 |
|
prefLabel |
hexobendine |
|
smiles |
O(C)C1=C(OC)C=C(C=C1OC)C(OCCCN(CCN(CCCOC(=O)C2=CC(OC)=C(C(=C2)OC)OC)C)C)=O |
|
treeView | ||
subClassOf |
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