Olopatadine Hydrochloride
OLOPATADINE HCL · Olopatadin HCL · OLAPATADINE HCL · Patanol · Olopatadine Hydrochlorde · Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1), (11Z)- · Opatanol · AL-4943A
식별자 및 물리적 특성
| CAS No. | 140462-76-6 |
|---|---|
| 분자식 | C21H24ClNO3 |
| 평균 분자량 | 373.9 g/mol |
| 단동위원소 질량 | 373.14447131 g/mol |
| SMILES | CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl |
| InChIKey | HVRLZEKDTUEKQH-NOILCQHBSA-N |
| PubChem CID | 5282402 |
| ChEMBL | CHEMBL1719 |
| ChEBI | CHEBI:31933 |
| EC No. | 604-185-4 |
| DTXSID | DTXSID0046486 |
화학 및 물리적 성질
| 극성 표면적 | 49.8 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 488 |
| Human Drugs | FDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
| 녹는점 | 242-245C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | H2O: ≥20mg/mL |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 밝은 노란색 |
| 용해도 | H2O: ≥20mg/mL |
| Merck | 14,6840 |
| BCS Class | 3(CLogP), 1 (LogP) |
| InChI | InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)1H/b18-8- |
| InChIKey | HVRLZEKDTUEKQH-NOILCQHBSA-N |
| SMILES | C(=C1/C2=CC=CC=C2COC2C=CC(CC(=O)O)=CC/1=2)\CCN(C)C.Cl |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.DangerH301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (87.2%) |
| 노출 경로 | Ophthalmic use of olopatadine usually does not produce measurable plasma concentrations. |
| 독성 요약 | Olopatadine is a selective histamine H1 antagonist that binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. Olopatadine is devoid of effects on alpha-adrenergic, dopamine and muscarinic type 1 and 2 receptors. |
| Signs and Symptoms | Its side effects may include headaches (7% of occurrence) burning and stinging (5%), dry eye, foreign body sensation, hyperemia, keratitis, lid edema, pruritus, asthenia, cold syndrome, pharyngitis, rhinitis, sinusitis, and taste perversion. [Wikipedia] |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | HQ4135060 |
| 운송 번호(UN) | UN 2811 6.1 / PGIII |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 25-50 |
| 위험 표시 | T,N |
| 안전 문구(S) | 45-61 |
| 위험 등급 | Acute Tox. 3 OralAquatic Acute 1 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
개요
Olopatadine hydrochloride is an ophthalmic antihistamine that inhibits release of histamine from mast cells and is a relatively selective histamine H1 antagonist. It inhibits type 1 immediate hypersensitivity reactions. Olopatadine hydrochloride is indicated in the temporary relief of itching caused by allergic conjunctivitis. H1 antagonists have an established and valued place in the symptomatic treatment of various immediate hypersensitivity reactions. In addition, the central properties of some of the series are of therapeutic value for suppressing motion sickness or for sedation.
용도
Olopatadine hydrochloride is a potent, selective antagonist of the H1 histamine receptor (Ki = 16-41.1 nM), with much lower affinities for the H2 and H3 receptors (Ki = 43.4 and 172 μM, respectively). It blocks histamine-induced phosphoinositide turnover in isolated cells (IC50 = 9.5-39.9 nM) and prevents passive cutaneous anaphylaxis in rats (ED50 = 49 μg/kg) and anaphylactic bronchoconstriction in guinea pigs (ID50 = 30 μg/kg). Olopatadine is effective in treating allergic rhinitis and conjunctivitis. It also suppresses itch in patients with well-controlled chronic urticaria. In humans, this antihistamine does not cause cognitive or psychomotor impairment at therapeutic doses.[Cayman Chemical]