Xylometazolinhydrochlorid

Xylometazoline Hydrochloride

HCID 5282386CAS 1218-35-5

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Grundinformationen

Standard-SMILES: Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl
InChIKey: YGWFCQYETHJKNX-UHFFFAOYSA-N
Summenformel: C16H24N2.ClH
Durchschnittliche Molmasse: 280,83 g/mol
Monoisotopische Masse: 280,17062648

Überblick

See also: Xylometazoline (has active moiety).

Namen und Bezeichner

Bevorzugter Name: Xylometazoline Hydrochloride
IUPAC: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Lokaler Name: Xylometazolinhydrochlorid
Englischer Name: Xylometazoline hydrochloride
Summenformel: C16H25ClN2
Molmasse: 280.84

Namen und Synonyme

Xylometazoline hydrochloride1218-35-5Xylometazoline HClNeo-Synephrine IIOtrivin hydrochlorideDTXSID3045223NSC-757378DTXCID1025223X5S84033NZXylometazoline hydrochloride (USP)2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline monohydrochloride1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride

Weitere Namen anzeigen

XYLOMETAZOLIN HYDROCHLORIDEOlynthNovorinXyMelinTherapinBrizolinGalazolinNeo-Rinoleina

1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, monohydrochlorideSinosilXylomet hclNazo-mistOtrivine hay fever forRefChem:58082Metarivin Soln. 0.1%Sinosil Nasal Decongestant

Datenbank-Bezeichner

CAS: 1218-35-5
PubChem CID: 5282386
DTXSID: DTXSID3045223
ChEMBL: CHEMBL1256400
UNII: X5S84033NZ
EC Number: 214-936-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 24,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 19
Formalladung: 0
Komplexität: 302

Experimentelle und physikochemische Eigenschaften

Human DrugsBreast Feeding; Lactation; Milk, Human; Adrenergic alpha-Agonists; Sympathomimetics; Nasal Decongestants

Collision Cross Section168.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 C
storage temp.: 2 · 2-8°C
Löslichkeit: Freely soluble in water, in ethanol (96 per cent) and in methanol.
Aggregatzustand: Solid
Farbe: Crystals
Merck: 14 · 14,10086
Major Application: forensics and toxicologyveterinary
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
SMILES: C(C1NCCN=1)C1C(=CC(C(C)(C)C)=CC=1C)C.Cl
CAS Datenbank: 1218 · 1218-35-5(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride (1218-35-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride

Xylometazoline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29332900
RTECS-Nr.: NJ2390000
risk_code: 22-36/37/38
Toxizität: LD50 orl-rat: 230 mg/kg KSRNAM 5,555,71
hazard_code: Xn,Xi
safety_code: 36-26
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Drugs designed to treat inflammation of the nasal passages, generally the result of an infection (more often than not the common cold) or an allergy related condition, e.g., hay fever. The inflammation involves swelling of the mucous membrane that lines the nasal passages and results in inordinate mucus production. The primary class of nasal decongestants are vasoconstrictor agents. (From PharmAssist, The Family Guide to Health and Medicine, 1993)

Verwendung und Herstellung

General Manufacturing Information1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, hydrochloride (1:1): ACTIVE

Anwendungen

VerwendenXylometazoline hydrochloride may be used as a reference standard in determining the xylometazoline hydrochloride content in samples of nasal drops using high performance liquid chromatography (HPLC).