시네프린
시네프린 · 옥세드린 · oxedrine · p-synephrine · 4-(1-hydroxy-2-(methylamino)ethyl)phenol · synephrin · SYNEPHERINE · DL-SYNEPHRINE
식별자 및 물리적 특성
| CAS No. | 94-07-5 |
|---|---|
| 분자식 | C9H13NO2 |
| 평균 분자량 | 167.2 g/mol |
| 단동위원소 질량 | 167.09462866 g/mol |
| SMILES | CNCC(O)c1ccc(O)cc1 |
| InChIKey | YRCWQPVGYLYSOX-UHFFFAOYSA-N |
| PubChem CID | 7172 |
| ChEMBL | CHEMBL33720 |
| ChEBI | CHEBI:29081 |
| EC No. | 202-300-9 |
| DTXSID | DTXSID0030588 |
| 현지명 | 시네프린 |
화학 및 물리적 성질
| XLogP | -0.6 |
|---|---|
| 극성 표면적 | 52.5 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 122 |
| LogP(분배 계수) | -0.45 |
| Physical Description | Solid |
| Dissociation Constants | 9.6 |
| Collision Cross Section | 241.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0030588]130.49 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]132 Ų [M+H-H2O]+ [CCS Type: TW134.4 Ų [M+H-H2O]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| 녹는점 | 187 °C (dec.)(lit.) |
| 끓는 점 | 295.79°C (rough estimate) |
| 밀도 | 1.1222 (rough estimate) |
| 굴절률 | 1.4680 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리) |
| 물리적 상태 | Solid |
| pKa(산도 계수) | pKa 9.60±0.02(H2O t = 25.0±0.5 I = 0.01)(Approximate) |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,9012 |
| 안정성 | 흡습성 |
| 주요 응용 | 음식 및 음료 |
| 화장품 원료 기능 | 피부 보호 |
| InChI | InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/s3 |
| InChIKey | YRCWQPVGYLYSOX-DJEYLCQNNA-N |
| SMILES | C1(=CC=C(O)C=C1)[C@@H](O)CNC |&1:7,r| |
| LogP(분배 계수) | -0.450 |
화학적 성질
Synephrine, also known as Analeptin or p-synephrine, is naturally occurring alkaloid. It is an off-white to beige powder that is derived from the fruit of small citrus trees (Citrus aurantium). It is soluble in water, insoluble in ether, almost insoluble in chloroform, ether. Synephrine is related structurally to endogenous neurotransmitters (adrenaline and noradrenaline), and acts on several adrenergic and serotonergic receptors.
안전 및 규제
| GHS 분류 | WarningH315 (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. |
|---|---|
| 규제 정보 | Synephrine: 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 Categories | Skin Irrit. 2 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DO7350000 |
| 관세 코드 | 29225090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
(±)-Synephrine has been used as an alkaloid to investigate its in vitro antiviral, antibacterial, antifungal and cytotoxicity activities.
일반 설명
Synephrine is a sympathomimetic amine from the plantCitrus aurantium and is identified as a major active component of dietary supplements.