아이소슈프린하이드로클로라이드
아이소슈프린하이드로클로라이드 · ISOXSUPRINE HCL · Isoxsuprine · Norephedrine, p-hydroxy-N-(1-methyl-2-phenoxyethyl)-, hydrochloride (6CI) · 4-Hydroxy-α-[1-[(1-Methyl-2-phenoxyethyl)aMino]ethyl]benzeneMethanol Hydrochloride · Benzenemethanol, 4-hydroxy-a-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (9CI) · Navilox · isolait
식별자 및 물리적 특성
| CAS No. | 579-56-6 |
|---|---|
| 분자식 | C18H24ClNO3 |
| 평균 분자량 | 337.8 g/mol |
| 단동위원소 질량 | 337.1444713 g/mol |
| SMILES | CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl |
| InChIKey | QVPSGVSNYPRFAS-UHFFFAOYSA-N |
| PubChem CID | 11368 |
| ChEMBL | CHEMBL559180 |
| ChEBI | CHEBI:31735 |
| EC No. | 209-443-6 |
| DTXSID | DTXSID1045328 |
| 현지명 | 아이소슈프린하이드로클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 61.7 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 299 |
| 맛 | Bitter crystals |
| Color/Form | Crystals from waterWHITE, CRYSTALLILNE POWDER |
| 용해도 | Soluble in ethanolSoluble in water at 25 °C, about 2% w/v물과 에탄올(96%)에 거의 녹지 않으며 염화메틸렌에는 거의 녹지 않습니다. |
| 녹는점 | 203-204 °C203-204° |
| 굴절률 | INDICES OF REFRACTIONALPHA 1.508BETA 1.648GAMMA 1.670 |
| Collision Cross Section | 172.1 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | MW: 301.38mp 102.5-103.5 °C /Isoxsuprine/ |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | Solid |
| pKa(산도 계수) | pKa 8.0 (Uncertain)9.8 (Uncertain) |
| 색상 | White to off-white |
| 주요 응용 | 법의학 및 독성학의약품(소분자)수의사 |
| InChI | 1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3 |
| InChIKey | QVPSGVSNYPRFAS-UHFFFAOYSA-N |
| SMILES | OC(C(NC(COC1=CC=CC=C1)C)C)C2=CC=C(O)C=C2.Cl |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Isoxsuprine hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Benzenemethanol, 4-hydroxy-.alpha.-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride: Environment tier I assessment |
| FDA 요건 | Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392). |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 보관 조건 | Isoxsuprine hydrochloride tablets should be stored in tight containers at a temp <40 °C, preferably between 15-30 °C. |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| 상호 작용 | Concurrent heavy use /of tobacco smoking/ may interfere with the therapeutic effects of isoxsuprine because nicotine constricts blood vessels. |
| Human Toxicity Excerpts | /HUMAN EXPOSURE STUDIES/ The developmental effects of isoxsuprine (I) were assessed in 20 very-low-birth-weight infants whose mothers had received intravenous I within 24 hr of delivery |
용도
개요
Isoxsuprine is an adrenergic receptor modulator that has α-adrenergic receptor (α-AR) antagonist and β-AR agonist properties. It induces vasodilation of isolated equine common digital artery strips precontracted with norepinephrine, indicating an α-AR effect, and induces relaxation of isolated fowl cecum, an effect that can be blocked by the β-AR antagonist propranolol (Item Nos. 23349 | 17291). Isoxsuprine has antinociceptive effects in an acetic acid writhing test in mice. It also inhibits oxytocin-induced contractions in isolated rat uterus (IC50 = 9.15 μM). It delays labor onset in rats by 31.63 hours when administered at a dose of 10 mg/kg per day on days 13 to 21 of gestation but increases heart rate with increasing concentration.
용도
As a vasilodator drug, Isoxsuprine Hydrochloride is used in veterinary medicine for the treatment of navicular syndrome and laminitis in horses. Isoxsuprine Hydrochloride has been shown to be a β-adrenoreceptor antagonist with β-adrenoreceptor agonistic properties, with both characteristics contributing to vasodilation and uterine relaxation. Studies suggest that Isoxsuprine Hydrochloride may be useful as a as a tocolytic agent in the treatment of preterm labour.