CAS 1218-35-5|2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride|xylometazoline hydrochloride|Xylometazoline HCl|Xymelin|Neo-Rinoleina|Xylometazoline Hydrochloride|No...

General Information

Structure

Molecular Formula

C₁₆H₂₅ClN₂

Molecular Mass

280.8361

Exact Mass

280.17062649

Charge

InChI

InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H

InChIKey

YGWFCQYETHJKNX-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C.Cl

Isomeric Smiles

N1=C(NCC1)Cc1c(cc(cc1C)C(C)(C)C)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3619118

LogD (pH = 7.4)

1.48564

Log P

3.7755392

Molar Refractivity

77.8176

Polarizability

29.674038

Polar Surface Area

24.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride

Synonyms

Xylometazoline HClXymelinXylometazoline HydrochlorideNovorinNeo-RinoleinaBrizolinNeo-Synephrine IIOtrivin Hydrochloride2-[[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-1H-imidazole HydrochlroideOlynthGalazolin2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline MonohydrochlorideTherapin2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochlorideXylometazoline hydrochloride2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochlorideXylometazoline hydrochloride

IUPAC Traditional name

xylometazoline hydrochloride stas hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

EC Number