(S)-페닐에프린염산염
(+)-Phenylephrine hydrochloride
기본 정보
- CAS
939-38-8- 표준 SMILES
CNC[C@@H](O)c1cccc(O)c1.Cl- InChIKey
OCYSGIYOVXAGKQ-SBSPUUFOSA-N- 분자식
- C9H14ClNO2
- 평균 분자량
- 203.66 g/mol
- 단동위원소 질량
- 203.0713064
이름 및 식별자
- 우선 이름
- (+)-Phenylephrine hydrochloride
- IUPAC
- 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
- 현지명
- (S)-페닐에프린염산염
- 영어명
- (S)-Phenylephrine hydrochloride
- 분자식
- C9H14ClNO2
- 분자량
- 203.67
이름 및 동의어
939-38-8(S)-Phenylephrine Hydrochloride(+)-Phenylephrine hydrochlorideS(+)-Mezaton hydrochloride(+)-Phenylephrine HClUNII-95T627AGR395T627AGR3Phenylephrine hydrochloride, (S)-S(+)-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride(+)-m-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (+)-BENZENEMETHANOL, 3-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (.ALPHA.S)-
이름 더 보기
(S)-페닐에프린염산염Prenaline S-isomer(S)-Phenylephrine HClPhenylephrine S-isomerDeoxyadrenalin impurity 11Phenylephrine Impurity 2 HClPhenylephrine Impurity 19((S)-Phenylephrine HCl)Phenylephrine Impurity 19（(S)-Phenylephrine Hydrochloride）3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol:hydrochloride
BENZENEMETHANOL, 3-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-RefChem:196332BENZENEMETHANOL, 3-HYDROXY-ALPHA-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (ALPHAS)-BENZENEMETHANOL, 3-HYDROXY-ALPHA-((METHYLAMINO)METHYL)-, HYDROCHLORIDE (1:1), (ALPHAS)-Phenylephrine Impurity 93-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride(S)-3-(1-hydroxy-2-(methylamino)ethyl)phenol hydrochloride3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride
데이터베이스 식별자
- CAS
939-38-8- PubChem CID
- 16745125
- DTXSID
DTXSID70917237- UNII
- 95T627AGR3
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
물리화학적 성질
- 녹는점
- 138 · 138 - 143°C
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 주황색으로
- InChI
- InChI=1/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/s3
- InChIKey
- OCYSGIYOVXAGKQ-OVMXBOEKNA-N
- SMILES
- [C@@H](C1C=CC=C(O)C=1)(O)CNC.Cl |&1:0,r|
- EPA
- 9 · Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (939-38-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Other Safety InformationIMAP assessments - Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, hydrochloride, (S)-: Environment tier I assessment
안전 데이터
- 독성
- LD50 parenteral in mouse: 3060mg/kg
화학 및 산업
응용 분야
용도(S)-Phenylephrine Hydrochloride, is an isomer of (R)-Phenylephrine Hydrochloride(P320640). It is a selective α1-adrenergic receptor agonist used as a decongestant, as a vasopressor, and as an agent to dilate the pupil (1,2,3).
관련 반응
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