자일로메타졸린하이드로클로라이드
Xylometazoline Hydrochloride
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기본 정보
- CAS
1218-35-5- 표준 SMILES
Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl- InChIKey
YGWFCQYETHJKNX-UHFFFAOYSA-N- 분자식
- C16H24N2.ClH
- 평균 분자량
- 280.83 g/mol
- 단동위원소 질량
- 280.17062648
개요
See also: Xylometazoline (has active moiety).
이름 및 식별자
- 우선 이름
- Xylometazoline Hydrochloride
- IUPAC
- 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
- 현지명
- 자일로메타졸린하이드로클로라이드
- 영어명
- Xylometazoline hydrochloride
- 분자식
- C16H25ClN2
- 분자량
- 280.84
이름 및 동의어
Xylometazoline hydrochloride1218-35-5Xylometazoline HClNeo-Synephrine IIOtrivin hydrochlorideDTXSID3045223NSC-757378DTXCID1025223X5S84033NZXylometazoline hydrochloride (USP)2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline monohydrochloride1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride
이름 더 보기
자일로메타졸린하이드로클로라이드XYLOMETAZOLIN HYDROCHLORIDEOlynthNovorinXyMelinTherapinBrizolinGalazolinNeo-Rinoleina
1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, monohydrochlorideSinosilXylomet hclNazo-mistOtrivine hay fever forRefChem:58082Metarivin Soln. 0.1%Sinosil Nasal Decongestant
데이터베이스 식별자
- CAS
1218-35-5- PubChem CID
- 5282386
- DTXSID
DTXSID3045223- ChEMBL
CHEMBL1256400- UNII
- X5S84033NZ
- EC Number
- 214-936-4
물성
구조 계산 물성보충 중
- 극성 표면적
- 24.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 302
실험 및 물리화학적 성질
Human DrugsBreast Feeding; Lactation; Milk, Human; Adrenergic alpha-Agonists; Sympathomimetics; Nasal Decongestants
Collision Cross Section168.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 131 · 131-133 C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물, 에탄올(96%) 및 메탄올에 자유롭게 용해됩니다.
- 물리적 상태
- Solid
- 색상
- 크리스탈
- Merck
- 14 · 14,10086
- 주요 응용
- 법의학 및 독성학수의사
- InChI
- InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H
- InChIKey
- YGWFCQYETHJKNX-UHFFFAOYSA-N
- SMILES
- C(C1NCCN=1)C1C(=CC(C(C)(C)C)=CC=1C)C.Cl
- EPA
- 1 H-Imidazole, · 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride (1218-35-5)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride
Xylometazoline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NJ2390000
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 orl-rat: 230 mg/kg KSRNAM 5,555,71
- HS 번호
- 29332900
- risk_code
- 22-36/37/38
- hazard_code
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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)
용도 및 제조
General Manufacturing Information1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, hydrochloride (1:1): ACTIVE
응용 분야
용도Xylometazoline hydrochloride may be used as a reference standard in determining the xylometazoline hydrochloride content in samples of nasal drops using high performance liquid chromatography (HPLC).
일반 설명Xylometazoline hydrochloride is a derivative of imidazole, and a representative of the class of α1 agonists. It is commonly used in nasal decongestants, which works on the principle of constricting the blood vessels in the mucous membranes.
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