기본 정보
- CAS
830346-80-0- 표준 SMILES
CN(C[C@H](O)c1cccc(O)c1)C(=O)C(O)CC(=O)O- InChIKey
IWWBJYCPXCCBTF-DTIOYNMSSA-N- 분자식
- C13H17NO6
- 평균 분자량
- 283.28 g/mol
- 단동위원소 질량
- 283.10558726
이름 및 식별자
- 우선 이름
- N-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid
- IUPAC
- 3-hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]-4-oxobutanoic acid
- 영어명
- 3-Hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]MethylaMino]-4-oxo-butanoic Acid
- 분자식
- C13H17NO6
- 분자량
- 283.28
이름 및 동의어
830346-80-0Phenylephrine Impurity 213-Hydroxy-4-(((R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl)(methyl)amino)-4-oxobutanoic acidN-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid3-hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]-4-oxobutanoic acidstarbld0020702Phenylephrine Impurity 13IWWBJYCPXCCBTF-DTIOYNMSSA-NPhenylephrine Related CompoundPhenylephrine Impurity 31 (Mixture of Diastereomers)3-Hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]-4-oxo-butanoic AcidButanoic acid, 3-hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]-4-oxo-
이름 더 보기
Phenylephrine Related Compound (3-Hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]-4-oxo-butanoic Acid)
데이터베이스 식별자
- CAS
830346-80-0- PubChem CID
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 348
물리화학적 성질
- 녹는점
- 61 · 61-64°C
- 끓는 점
- 601.1 · 601.1±55.0 °C(Predicted)
- 밀도
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO및메탄올에 용해됨
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
화학 및 산업
응용 분야
용도3-Hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]-4-oxo-butanoic Acid is a reagent used to synthesize degradation products of Phenylephrine (P320635 Hydrochloride salt) in over-the-counter products.
공급사25 곳
济南百隆化学有限公司[email protected] · [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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广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
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