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Oxymetazoline structure, CAS 1491-59-4

Oxymetazoline

CAS Number1491-59-4

SynonymsOximetazolinum; 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

Molecular FormulaC16H24N2O

Molecular Weight278.39

Purity95%

Density1.08 g/cm3

Boiling Point431.9ºC at 760 mmHg

Melting Point182ºC

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol6.1(a)

Signal WordWarning

Cat. No.: 2A-9011839 Purity: 95%
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Quality Control of [ 1491-59-4 ] Purity: 95% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1491-59-4
Catalog No.2A-9011839
Chinese Name羟甲唑啉
SynonymsOximetazolinum; 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
Molecular FormulaC16H24N2O
Molecular Weight278.39
Purity95
Density1.08 g/cm3
Boiling Point431.9ºC at 760 mmHg
Melting Point182ºC
PackagingII
ApplicationOxymetazoline is an α-adrenoceptor agonist, with IC50s of α1A, α1B, α2A and α2C being 0.02μM, 0.25μM, o.58μM and 0.13μM respectively. Oxitatazoline can be used to study the decongestant effect of the
HTC2933290090
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChI KeyWYWIFABBXFUGLM-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(a)
MSDSmsds/11839_1_1491_59_4.pdf
Use ofProperties Name oxymetazoline Synonym More Synonyms Oxymetazoline Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor References [1]. Haenisch B, et al. Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. Chemical & Physical Properties Molecular Formula C16H24N2O Exact Mass 260.18900 PSA 44.62000 LogP 2.61510 InChIKey WYWIFABBXFUGLM-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C16-H24-N2-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5M CN BUTJ B1R CQ 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 - rat DOSE/DURATION : 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 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 Safety Information RIDADR UN 3249 Packaging Group II Hazard Class 6.1(a) HS Code 2933290090
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct 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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