자일로메타졸린하이드로클로라이드

Xylometazoline Hydrochloride

HCID 5282386CAS 1218-35-5

부분 구조 검색 유사 구조 찾기

기본 정보

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 물성

극성 표면적: 24.4 Å²
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 Å² [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

Xylometazoline hydrochloride is white or almost white, crystalline powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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: Xn,Xi
safety_code: 36-26
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-11380
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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.

상·하류 제품 정보

상류 원료

염산 에틸렌디아민

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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