Introduction：Basic information about CAS 1491-59-4|Oxymetazoline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Oxymetazoline |
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| CAS Number | 1491-59-4 | Molecular Weight | 260.37500 |
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| Density | 1.08 g/cm3 | Boiling Point | 431.9ºC at 760 mmHg |
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| Molecular Formula | C16H24N2O | Melting Point | 182ºC |
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| MSDS | / | Flash Point | 215ºC |
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Names
| Name | oxymetazoline |
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| Synonym | More Synonyms |
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Oxymetazoline BiologicalActivity
| Description | OxyMetazoline is an α-adrenoceptor agonist with IC50s of 0.02 μM, 0.25 μM, 0.58 μM and 0.13 μM for α1A, α1B, α2A and α2C. OxyMetazoline can be used for researching nasal mucosa decongesting[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>GPCR/G Protein >>Adrenergic Receptor |
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| Target | IC50: 0.02 μM (α1A), 0.25 μM (α1B), 0.58 μM (α2A), 0.13 μM (α2C)[1] |
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| References | [1]. Haenisch B, et al. Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. |
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Chemical & Physical Properties
| Density | 1.08 g/cm3 |
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| Boiling Point | 431.9ºC at 760 mmHg |
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| Melting Point | 182ºC |
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| Molecular Formula | C16H24N2O |
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| Molecular Weight | 260.37500 |
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| Flash Point | 215ºC |
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| Exact Mass | 260.18900 |
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| PSA | 44.62000 |
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| LogP | 2.61510 |
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| Vapour Pressure | 4.59E-08mmHg at 25°C |
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| InChIKey | WYWIFABBXFUGLM-UHFFFAOYSA-N |
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| SMILES | Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SK1050000
- CHEMICAL NAME :
- Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-
- CAS REGISTRY NUMBER :
- 1491-59-4
- BEILSTEIN REFERENCE NO. :
- 0886303
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C16-H24-N2-O
- MOLECULAR WEIGHT :
- 260.42
- WISWESSER LINE NOTATION :
- T5M CN BUTJ B1R CQ B1 F1 DX1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1100 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,74,1967 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 20 mg/kg
- SEX/DURATION :
- female 1-5 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 11,563,1975
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Safety Information
| RIDADR | UN 3249 |
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| Packaging Group | II |
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| Hazard Class | 6.1(a) |
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| HS Code | 2933290090 |
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Customs
| HS Code | 2933290090 |
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| 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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Synonyms
| Oximetazolinum |
| EINECS 216-079-1 |
| Rhinofrenol |
| 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-6-tert-butylphenol |
| MFCD00242798 |
| Iliadin |
| Oxymethazoline |
| 2-(4-t-butyl-2,6-dimethyl-3-hydroxy-benzyl)-2-imidazoline |
| Sinerol |
| 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol |
| Oxylazine |
| Nezeril |
| Hazol |
| Nafrine |
