CAS Number526-36-3
SynonymsNovorin; 2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazol; 2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole; Xylomethazoline; Otriven; Otrix; Xilometazolina; UNII-WPY40FTH8K; 2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole; Otrivin; 2-[(2,6-dimethyl-4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole; Xylometazoline; Xylometazolinum; 2-(3,4-DIMETHOXY-PHENYL)-BENZO[D]IMIDAZO[2,1-B]-THIAZOLE-3-CARBALDEHYDE; Otrivine
Molecular FormulaC16H24N2
Molecular Weight244.38
Purity99%
Density1g/cm3
Boiling Point394.2ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 526-36-3 |
| Catalog No. | 2A-9008962 |
| Chinese Name | 木霉唑啉 |
| Synonyms | Novorin; 2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazol; 2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole; Xylomethazoline; Otriven; Otrix; Xilometazolina; UNII-WPY40FTH8K; 2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole; Otrivin; 2-[(2,6-dimethyl-4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole; Xylometazoline; Xylometazolinum; 2-(3,4-DIMETHOXY-PHENYL)-BENZO[D]IMIDAZO[2,1-B]-THIAZOLE-3-CARBALDEHYDE; Otrivine |
| Molecular Formula | C16H24N2 |
| Molecular Weight | 244.38 |
| Purity | 99 |
| Density | 1g/cm3 |
| Boiling Point | 394.2ºC at 760mmHg |
| Storage Condition | -20°C |
| Application | Xylometazoline is an alpha-adrenoceptor agonist (Ki=0.05-1.7 μM). Xylometazoline constricts the blood vessels in the nose and increases nasal airflow. Xylometazoline may be used to treat nasal congest |
| HTC | 2933290090 |
| SMILES | Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1 |
| 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 |
| InChI Key | HUCJFAOMUPXHDK-UHFFFAOYSA-N |
| MSDS | msds/8962_1_526_36_3.pdf |
| Use of | Xylometazoline is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline can constrict nasal blood vessels and increase nasal airflow. Xylometazoline can be used in nose stuffiness and runny nose research[1][2]. Properties Name 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole Synonym More Synonyms xylometazoline Biological Activity Description Xylometazoline is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline can constrict nasal blood vessels and increase nasal airflow. Xylometazoline can be used in nose stuffiness and runny nose research[1][2]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Inflammation/Immunology Alpha-1A adrenergic receptor:0.05 μM (Ki) Alpha-1B adrenergic receptor:0.30 μM (Ki) Alpha-1D adrenergic receptor:0.15 μM (Ki) Alpha-2A adrenergic receptor:0.88 μM (Ki) Alpha-2B adrenergic receptor:1.7 μM (Ki) References [1]. Ronald Eccles, et al. The nasal decongestant effect of xylometazoline in the common cold. Am J Rhinol. 2008 Sep-Oct;22(5):491-6. [2]. Britta Haenisch, et al. Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. Chemical & Physical Properties Molecular Formula C16H24N2 Exact Mass 244.19400 PSA 24.39000 LogP 2.90950 InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C16-H24-N2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5M CN BUTJ B1R B1 F1 DX1&1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 29,729,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 29,729,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,971,1962 Safety Information HS Code 2933290090 Synthetic Route Total: 1 Page 2,6-DIMETHYL-4-... CAS#:84803-57-6 1,2-Ethanediamine CAS#:107-15-3 xylometazoline CAS#:526-36-3 Literature: CIBA Patent: US2868802 , 1957 ; |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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