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| CAS No.: | 1218-35-5 |
|---|---|
| Name: | Xylometazoline hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C16H25ClN2 |
| Molecular Weight: | 280.841 |
| Synonyms: | 1H-Imidazole,2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-,monohydrochloride (9CI);2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-,monohydrochloride (8CI);Brizolin;Galazolin;Neo-Rinoleina;Neo-Synephrine II;Novorin;Olynth;Otrivin hydrochloride;Otrivine;Otrivine hydrochloride;Therapin;Xymelin; |
| EINECS: | 214-936-4 |
| Density: | == |
| Melting Point: | 131-133 °C |
| Boiling Point: | 394.2 °C at 760 mmHg |
| Flash Point: | 192.2 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 36-26 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 24.39000 |
| LogP: | 3.71150 |
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Chemistry
Molecular structure of Xylometazoline hydrochloride (CAS NO.1218-35-5) is:
Product Name: Xylometazoline hydrochloride
CAS Registry Number: 1218-35-5
IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
Molecular Weight: 280.8361 [g/mol]
Molecular Formula: C16H25ClN2
H-Bond Donor: 1
H-Bond Acceptor: 2
EINECS: 214-936-4
Melting Point: 131-133 °C
Flash Point: 192.2 °C
Enthalpy of Vaporization: 61.91 kJ/mol
Boiling Point: 394.2 °C at 760 mmHg
Vapour Pressure: 4.56E-06 mmHg at 25°C
Other Registry Number: 28096-10-8 ;8057-34-9
Related Registry Number: 526-36-3 (Parent)
Product Categories: Miscellaneous Natural Products;Adrenoceptor
Uses
Xylometazoline hydrochloride (CAS NO.1218-35-5) is used for the α-adrenergic agonists ligand, with the role of contraction in vascular.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 12500ug/kg (12.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
| mouse | LD50 | oral | 75mg/kg (75mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
| mouse | LD50 | subcutaneous | 53mg/kg (53mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
| rat | LD50 | intraperitoneal | 43mg/kg (43mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
| rat | LD50 | oral | 230mg/kg (230mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
| rat | LD50 | subcutaneous | 90mg/kg (90mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971. |
Safety Profile
Hazard Codes 
Xn,Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-26
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: NJ2390000
Specification
Xylometazoline hydrochloride , its cas register number is 1218-35-5. It also can be called 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochloride ; 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, hydrochloride (1:1) ; 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, monohydrochloride .