salmeterol xinafoate

2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid

CAS: 94749-08-3

Molecular Formula	`C36H45NO7`
Molecular Weight	603.7 g/mol
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	603.3196
Heavy Atoms	44
Complexity	629.0

Chemical Identifiers

CAS Number	94749-08-3
SMILES	`C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O`
InChIKey	`XTZNCVSCVHTPAI-UHFFFAOYSA-N`

📖 Product Overview

salmeterol xinafoate (CAS: 94749-08-3) is a chemical compound with molecular formula C36H45NO7 and molecular weight 603.7 g/mol. Its IUPAC systematic name is 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid. Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 17 Exact Mass 603.3196 Heavy Atoms 44 Complexity 629.0 InChI Key: XTZNCVSCVHTPAI-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O.

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