CAS 1218-35-5|Xylometazoline hydrochloride

Introduction:Basic information about CAS 1218-35-5|Xylometazoline hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameXylometazoline hydrochloride
CAS Number1218-35-5Molecular Weight280.836
Density/Boiling Point394.2ºC at 760 mmHg
Molecular FormulaC16H25ClN2Melting Point131-133ºC
MSDSChineseUSAFlash Point192.2ºC
Symbol
GHS06
Signal WordDanger

Names

NameXylometazoline hydrochloride
SynonymMore Synonyms

Xylometazoline hydrochloride BiologicalActivity

DescriptionXylometazoline Hydrochloride is an α-adrenoceptor agonist commonly used as nasal decongestant.Target: α-AdrenoceptorXylometazoline is a nasal decongestant spray that constricts nasal blood vessels and increases nasal airflow, enabling patients with a blocked nose to breathe more easily. Xylometazoline is an effective and well-tolerated decongestant nasal spray that significantly relieved nasal congestion compared with placebo in the common cold and provided long-lasting relief with just 1 spray, helping patients to breathe more easily for a longer period of time [1]. Xylometazoline exhibited in radioligand competition studies higher affinities than the catecholamines adrenaline and noradrenaline at most α-adrenoceptor subtypes. Xylometazoline behaved at α(2B) -adrenoceptors as full agonists [2].
Related CatalogSignaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Cardiovascular Disease
References

[1]. Eccles, R., et al., The nasal decongestant effect of xylometazoline in the common cold. Am J Rhinol, 2008. 22(5): p. 491-6.

[2]. Haenisch, B., et al., Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol, 2010. 24(6): p. 729-39.

Chemical & Physical Properties

Boiling Point394.2ºC at 760 mmHg
Melting Point131-133ºC
Molecular FormulaC16H25ClN2
Molecular Weight280.836
Flash Point192.2ºC
Exact Mass280.170624
PSA24.39000
LogP3.71150
Vapour Pressure4.56E-06mmHg at 25°C
InChIKeyYGWFCQYETHJKNX-UHFFFAOYSA-N
SMILESCc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ2390000
CHEMICAL NAME :
2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-, monohydrochloride
CAS REGISTRY NUMBER :
1218-35-5
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C16-H24-N2.Cl-H
MOLECULAR WEIGHT :
280.88

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12500 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1080 mg/kg/6W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in cell count (unspecified) Endocrine - adrenal cortex hyperplasia
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2340 mg/kg/26W-I
TOXIC EFFECTS :
Endocrine - adrenal cortex hyperplasia Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,555,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4782 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 82 (estimated) No. of Female Employees: 14 (estimated)

Safety Information

Symbol
GHS06
Signal WordDanger
Hazard StatementsH301
Precautionary StatementsP301 + P310
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn:Harmful;
Risk PhrasesR22
Safety PhrasesS36
RIDADRUN 2811 6.1/PG 3
WGK Germany3
RTECSNJ2390000

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Synonyms

Xylometazoline HCl
2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline Hydrochloride
Xylometazoline hydrochloride
1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, hydrochloride (1:1)
2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochloride (1:1)
2-[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]-4,5-dihydro-1H-imidazole hydrochloride (1:1)
MFCD00238707
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole,hydrochloride
EINECS 214-936-4
Xylometazoline (hydrochloride)
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