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Salbutamol 4-O-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM160964

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₂₁NO₆S

charge

mass

319.10896

reference

InChIKey

FPMLHYFHLRTRMB-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO6S/c1-13(2,3)14-7-11(16)9-4-5-12(10(6-9)8-15)20-21(17,18)19/h4-6,11,14-16H,7-8H2,1-3H3,(H,17,18,19)

SMILES

CC(C)(C)NCC(O)c1ccc(OS(=O)(=O)O)c(CO)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0060604	Salbutamol 4-O-sulfate Salbutamol 4-O-sulfuric acid Salbutamol 4-O-sulphate Salbutamol 4-O-sulphuric acid {4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenyl}oxidanesulfonic acid
hmdb:HMDB60604	secondary/obsolete/fantasy identifier