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CHEBI:165201 - Erythrohydrobupropion

ChEBI IDCHEBI:165201
ChEBI NameErythrohydrobupropion
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FormulaC13H21ClNO
Net Charge+1
Average Mass242.770
Monoisotopic Mass242.13062
SMILESC[C@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/p+1/t9-,12-/m0/s1
InChIKeyNDPTTXIBLSWNSF-CABZTGNLSA-O
ChEBI Ontology
Outgoing Relation(s)
Erythrohydrobupropion (CHEBI:165201) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
tert-butyl-[(1R,2S)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]azanium
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