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Synephrine

HCID 178886121
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
582-84-3
표준 SMILES
CNCC(O)c1ccc(O)cc1
InChIKey
YRCWQPVGYLYSOX-UHFFFAOYSA-N
분자식
C9H13NO2
평균 분자량
167.2 g/mol

개요

Synephrine is a phenethylamine alkaloid that is 4-(2-aminoethyl)phenol substituted by a hydroxy group at position 1 and a methyl group at the amino nitrogen. It has a role as an alpha-adrenergic agonist and a plant metabolite. It is a member of ethanolamines, a member of phenols and a phenethylamine alkaloid. It is a conjugate base of a synephrinium.

이름 및 식별자

우선 이름
Synephrine
IUPAC
4-[1-hydroxy-2-(methylamino)ethyl]phenol
영어명
Synephrine
분자식
C9H13NO2
분자량
167.21

이름 및 동의어

SynephrineOxedrine94-07-5p-SynephrineParasympatolAnaleptinSimpalonSympatolSynthenateSympatholEthapheneDL-SYNEPHRINE
이름 더 보기
SYNEPHERINESYNEPHRINE(P)SYNEPHRINE(SH)AKOS NCG1-0008AURORA KA-6561SYNEPHRINE USP/EP/BPDL-SYNEPHRINE, SYNTHETICDL -SYNEPHRINE CRYSTALLINE SYNTHETIC
4-[1-Hydroxy-2-(methylamino)ethyl]phenol4-(1-Hydroxy-2-(methylamino)ethyl)phenolAdvantra z1-(4-Hydroxyphenyl)-2-methylaminoethanolDTXSID0030588NSC-166285NSC-170956PEG5DP7434

데이터베이스 식별자

CAS
582-84-3
ChEMBL
CHEMBL33720
ChEBI
CHEBI:29081
UNII
PEG5DP7434
EC Number
202-300-9
Nikkaji
J8.617G

물성

구조 계산 물성

XLogP
-0.6
극성 표면적
52.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12
형식 전하
0
복잡도
122

실험 및 물리화학적 성질

LogP · 2건

-0.45

-0.45

Physical DescriptionSolid
Dissociation Constants9.6
Collision Cross Section · 4건

241.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0030588]

130.49 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

132 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

134.4 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

녹는점
187 °C · 187 °C (dec.)(lit.)
저장 조건
2 · 2-8°C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationSynephrine: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

ATC Code · 5건

C - Cardiovascular system

S - Sensory organs

QC - Cardiovascular system

QS - Sensory organs

QS - Sensory organs

MeSH Pharmacological Classification · 4건

Drugs that selectively bind to and activate alpha adrenergic receptors.

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)

공급사11 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
西安超邦生物科技有限公司13324615505 · [email protected]
成都辰绿生物科技有限公司028-88523492 15528171243 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Mainchem Co., Ltd.

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