기본 정보
- CAS
61-76-7- 표준 SMILES
CNC[C@H](O)c1cccc(O)c1.Cl- InChIKey
OCYSGIYOVXAGKQ-FVGYRXGTSA-N- 분자식
- C9H13NO2.ClH
- 평균 분자량
- 203.66 g/mol
- 단동위원소 질량
- 203.0713064
개요
Phenylephrine hydrochloride is an odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Phenylephrine Hydrochloride
- IUPAC
- 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
- 현지명
- 페닐레프린 수화염화물
- 영어명
- (R)-Phenylephrine Hydrochlorid
- 분자식
- C9H13NO2.ClH
- 분자량
- 203.67
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
61-76-7- PubChem CID
- 5284443
- DTXSID
DTXSID3021142- ChEMBL
CHEMBL1200339- UNII
- 04JA59TNSJ
- EC Number
- 200-517-3
물성
구조 계산 물성
- 극성 표면적
- 52.5 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 130
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Adrenergic Agents; Adrenergic Alpha-Agonists; Antiglaucoma Agents; Sympathomimetics; Vasoconstrictor Agents; Nasal Decongestants
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 143 · 143-145 °C(lit.)
- 밀도
- 1.2652 g/cm³ · 1.2652 g/cm³(Temp: 25 °C; Press: 750 Torr)
- 굴절률
- -45.5 ° · -45.5 ° (C=1, H2O)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물과 에탄올(96%)에 자유롭게 용해됩니다.
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 1 · pK1 8.77; pK2 9.84(at 25℃)
- 색상
- 흰색에서 거의 흰색
- 수소이온지수(pH)
- pH (10g/L, 25℃) : 4.5~5.5
- 수용성
- 21 · 21 ºC에서 >=10g/100mL
- Merck
- 14 · 14,7286
- BRN
- 4158948 · 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,6H2,1H3;1H/t9-;/m0./s1
- InChIKey
- OCYSGIYOVXAGKQ-FVGYRXGTSA-N
- SMILES
- OC1=CC([C@H](CNC)O)=CC=C1.Cl
- LogP
- -0.31 · -0.310
- EPA
- Phenylephrine hydrochloride (61-76-7)
화학적 성질
white to almost white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (1 of 387) of reports.
Warning
H302 (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.
유해성 정보
Regulatory Information
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
Health Hazards
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 restlessness; tachycardia, 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).
안전 및 보호
First Aid
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.
Nonfire Spill Response
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)
독성 정보
Carcinogen Classification
Phenylephrine Hydrochloride
TR-322: Toxicology and Carcinogenesis Studies of Phenylephrine Hydrochloride (CASRN 61-76-7) in F344/N Rats and B6C3F1 Mice (Feed Studies) (1987 )
03/26/86
No Evidence
No Evidence
No Evidence
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DO7525000
- ridadr
- 3249
- 독성
- LD50 in rats (mg/kg): 17 ±1.1 i.p.; 33 ±2.0 s.c. (Warren, Werner)
- HS 번호
- 29225090
- risk_code
- 22-36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 26-36-37/39-45-36/37-16-7
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-20631
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1B
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
NASAL
Vasoconstriction [PE]; Imidazolines [CS]; Increased Sympathetic Activity [PE]; Vasoconstrictor [EPC]
NASAL PHENYLEPHRINE HYDROCHLORIDE
Adrenergic alpha1-Agonists [MoA]; alpha-1 Adrenergic Agonist [EPC]
PHENYLEPHRINE 10 MG
alpha-1 Adrenergic Agonist [EPC]; Adrenergic alpha1-Agonists [MoA]
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs used to cause constriction of the blood vessels.
Drugs designed to treat inflammation of the nasal passages, generally the result of an infection (more often than not the common cold) or an allergy related condition, e.g., hay fever. The inflammation involves swelling of the mucous membrane that lines the nasal passages and results in inordinate mucus production. The primary class of nasal decongestants are vasoconstrictor agents. (From PharmAssist, The Family Guide to Health and Medicine, 1993)
Compounds that bind to and activate ADRENERGIC ALPHA-1 RECEPTORS.
용도 및 제조
응용 분야
개요R-(-)-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 설명Odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: A hydrochloride that is the monohydrochloride salt of phenylephrine.
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