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Erythrohydrobupropion

MNXM17568 is deprecated and here replaced by MNXM731775
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731775 Image of MNXM731775
referencehmdb:HMDB0012227
formulaC13H20ClNO
global charge0
mol weight241.762
InChIKeyNDPTTXIBLSWNSF-UHFFFAOYSA-N
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
SMILESCC(NC(C)(C)C)C(O)C1=CC=CC(Cl)=C1
MNX internals
InChI (mnx)InChI=1/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/t9?,12? Image of MNXM731775
SMILES (mnx)[CH3:1][CH:9]([CH:12]([C:10]1=[CH:8][C:11]([Cl:14])=[CH:7][CH:5]=[CH:6]1)[OH:16])[NH:15][C:13]([CH3:2])([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0012227
NDPTTXIBLSWNSF-UHFFFAOYSA-N 		Erythrohydrobupropion
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
Hydrobupropion
Threohydrobupropion
erythro-Hydrobupropion(active)

hmdb:HMDB12227 		secondary/obsolete/fantasy identifier