Erythrohydrobupropion (CHEBI:165201)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Erythrohydrobupropion

ChEBI ID	CHEBI:165201

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H21ClNO

Net Charge

Average Mass

242.770

Monoisotopic Mass

242.13062

InChI

InChI=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

InChIKey

NDPTTXIBLSWNSF-CABZTGNLSA-O

SMILES

ClC=1C=C([C@@H](O)[C@@H]([NH2+]C(C)(C)C)C)C=CC1

ChEBI Ontology
Outgoing	Erythrohydrobupropion (CHEBI:165201) is a alkylbenzene (CHEBI:38976)

IUPAC Name

tert-butyl-[(1R,2S)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]azanium