Atropine O-(hydrogen sulphate)

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate

CAS: 5226-98-2

Molecular Formula	`C17H23NO6S`
Molecular Weight	369.4 g/mol
LogP	-0.8
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	369.1246
Heavy Atoms	25
Complexity	554.0

Chemical Identifiers

CAS Number	5226-98-2
SMILES	`CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)C3=CC=CC=C3`
InChIKey	`GMLBHJMTVBLXLJ-UHFFFAOYSA-N`

📖 Product Overview

Atropine O-(hydrogen sulphate) (CAS: 5226-98-2) is a chemical compound with molecular formula C17H23NO6S and molecular weight 369.4 g/mol. Its IUPAC systematic name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate. LogP -0.8 Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 369.1246 Heavy Atoms 25 Complexity 554.0 InChI Key: GMLBHJMTVBLXLJ-UHFFFAOYSA-N. SMILES: CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)C3=CC=CC=C3.

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