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CHEBI:78394 - (S)-benproperine trihydrogen phosphate

ChEBI IDCHEBI:78394
ChEBI Name(S)-benproperine trihydrogen phosphate
Stars
ASCII Name(S)-benproperine trihydrogen phosphate
DefinitionAn organoammonium phosphate resulting from the formal reaction of equimolar amounts of (S)-benproperine and phosphoric acid.
Last Modified30 April 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H27NO.H3O4P
Net Charge0
Average Mass407.447
Monoisotopic Mass407.18616
SMILESC[C@@H](COc1ccccc1Cc1ccccc1)N1CCCCC1.O=P(O)(O)O
InChIInChI=1S/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)/t18-;/m0./s1
InChIKeyMCVUURBOSHQXMK-FERBBOLQSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-benproperine trihydrogen phosphate (CHEBI:78394) has part (S)-benproperine(1+) (CHEBI:78392)
(S)-benproperine trihydrogen phosphate (CHEBI:78394) is a organoammonium phosphate (CHEBI:37509)
(S)-benproperine trihydrogen phosphate (CHEBI:78394) is enantiomer of (R)-benproperine trihydrogen phosphate (CHEBI:78393)
Incoming Relation(s)
benproperine trihydrogen phosphate (CHEBI:31261) has part (S)-benproperine trihydrogen phosphate (CHEBI:78394)
(R)-benproperine trihydrogen phosphate (CHEBI:78393) is enantiomer of (S)-benproperine trihydrogen phosphate (CHEBI:78394)
IUPAC Names 
1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]piperidinium dihydrogen phosphate
1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]piperidine phosphate
Synonym  Source
(S)-benproperine phosphateChEBI