Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
페닐레프린 수화염화물
페닐레프린수화염화물 · 페닐레프린하이드로클로라이드 · PHENYLEPHRINE HCL · PHENYLEPHRINE HYDROCHLORIDE · Phenylephrine Hydrochlorid · (R)-PHENYLEPHRINE HYDROCHLORIDE · (R)-(-)-PHENYLEPHRINE HYDROCHLORIDE · L-PHENYLEPHRINE HYDROCHLORIDE
식별자 및 물리적 특성
| CAS No. | 61-76-7 |
|---|---|
| 분자식 | C9H13NO2.ClH |
| 평균 분자량 | 203.66 g/mol |
| 단동위원소 질량 | 203.0713064 g/mol |
| SMILES | CNC[C@H](O)c1cccc(O)c1.Cl |
| InChIKey | OCYSGIYOVXAGKQ-FVGYRXGTSA-N |
| PubChem CID | 5284443 |
| ChEMBL | CHEMBL1200339 |
| EC No. | 200-517-3 |
| DTXSID | DTXSID3021142 |
| 현지명 | 페닐레프린 수화염화물 |
화학 및 물리적 성질
| 극성 표면적 | 52.5 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 130 |
| 용해도 | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)물과 에탄올(96%)에 자유롭게 용해됩니다. |
| Human Drugs | Breast FeedingLactationMilk, HumanAdrenergic AgentsAdrenergic Alpha-AgonistsAntiglaucoma AgentsSympathomimeticsVasoconstrictor AgentsNasal DecongestantsFDA approved drugs -> Active ingredient |
| 녹는점 | 284 to 293 °F (NTP, 1992)143-145 °C(lit.) |
| Physical Description | Phenylephrine hydrochloride is an odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5. (NTP, 1992) |
| Collision Cross Section | 133 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 밀도 | 1.2652 g/cm³(Temp: 25 °CPress: 750 Torr) |
| 굴절률 | -45.5 ° (C=1, H2O) |
| 인화점 | 9℃ |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | pK1 8.77pK2 9.84(at 25℃) |
| 색상 | 흰색에서 거의 흰색 |
| pH | pH (10g/L, 25℃) : 4.5～5.5 |
| 용해도 | 21 ºC에서 >=10g/100mL |
| Merck | 14,7286 |
| BRN | 4158948 |
| 안정성 | 흡습성 |
| 주요 응용 | 의약품(소분자) |
| InChI | 1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H31H/t9-/m0./s1 |
| InChIKey | OCYSGIYOVXAGKQ-FVGYRXGTSA-N |
| SMILES | OC1=CC([C@H](CNC)O)=CC=C1.Cl |
| LogP(분배 계수) | -0.310 |
| EPA | Phenylephrine hydrochloride (61-76-7) |
화학적 성질
white to almost white crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (1 of 387) of reports.WarningH302 (90.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 387 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | REACH registered substance: Phenylephrine hydrochloride (EC: 200-517-3)Phenylephrine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, hydrochloride, (R)-: Environment tier I assessment |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include tremor, insomnia and palpitations. Other symptoms include excessive central nervous system stimulation resulting in excitement and restlessnesstachycardia, hypertension, pallor, mydriasis, hyperglycemia and urinary retention. Severe overdosage may cause tachypnea or hyperpnea, hallucinations, convulsions and delirium. In some cases it may cause central nervous system depression with somnolence, stupor and respiratory depression. Arrhythmias (including ventricular fibrillation) may lead to hypotension and circulatory collapse. Severe hypokalemia can occur. Other symptoms include blanching and a feeling of coolness of the skin, pressor response, anxiety, nervousness, weakness, headache, dizziness and vomiting. It has an adverse effect on intraocular pressure, corneas, conjunctiva and lids. Trembling and perspiration may occur. Exposure to this compound may cause peripheral vasoconstriction, an increase in arterial pressure, reflex bradycardia and a rise in blood pressure Extravasation of the injection may cause tissue necrosis. Exposure may also cause ventricular dysrrhythmias, a sensation of fullness in the head, tingling, irritation, local discomfort at the site of application, cardiac arrhythmia or cardiac arrests, and death. It has caused acute pulmonary edema with associated hypertension in infants. Hypersensitive persons may experience mild stinging (transient). |
| 반응성 그룹 | Alcohols and Polyols |
| Reactivity Profile | PHENYLEPHRINE HYDROCHLORIDE is incompatible with acids, acid chlorides, acid anhydrides and oxidizing agents. It is also incompatible with butacaine, alkalis and ferric salts. (NTP, 1992) |
| Air and Water Reactions | May be sensitive to prolonged exposure to air and light. Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (90.2%) |
| 소화 | Fires involving this chemical can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Carcinogen Classification | Phenylephrine HydrochlorideTR-322: Toxicology and Carcinogenesis Studies of Phenylephrine Hydrochloride (CASRN 61-76-7) in F344/N Rats and B6C3F1 Mice (Feed Studies) (1987 )03/26/86No Evidence |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DO7525000 |
| 운송 번호(UN) | 3249 |
| 독성 | LD50 in rats (mg/kg): 17 ±1.1 i.p.33 ±2.0 s.c. (Warren, Werner) |
| 관세 코드 | 29225090 |
| 위험 문구(R) | 22-36/37/38-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xn,T,F |
| 안전 문구(S) | 26-36-37/39-45-36/37-16-7 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralSkin Sens. 1B |
| 기존화학 물질 | KE-20631 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
R-(-)-Phenylephrine is an adrenergic α1A receptor agonist (Ki = 1.4 μM) that demonstrates selectivity against the α1B and α1C receptor subtypes (Kis = 23.9 and 47.8 μM, respectively). By stimulating adrenergic α1 receptors, L-phenylephrine can induce aortic smooth muscle contractions, although reported relative affinity and potency values in rabbit are 5-fold weaker compared to that of L-norepinephrine . This compound is frequently used to precontract smooth muscle in preparations designed to study the properties of various vasodilator agents.
용도
(R)-Phenylephrine Hydrochloride is an α-Adrenergic agonist. Mydriatic; decongestant.
일반 설명
Odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5.