기본 정보
- CAS
180637-89-2- 표준 SMILES
CN1CCC[C@@H]1Cc1c[nH]c2ccc(C=CS(=O)(=O)c3ccccc3)cc12- InChIKey
MJICWWOZPCLNBP-LJQANCHMSA-N- 분자식
- C22H24N2O2S
- 평균 분자량
- 380.5 g/mol
- 단동위원소 질량
- 380.15584919
이름 및 식별자
- 우선 이름
- 3-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethenyl)-1H-indole
- IUPAC
- 5-[2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
- 영어명
- 3-[((2R)-1-Methylpyrrolidin-2-yl)methyl]-5-[(E)-2-(phenylsulfonyl)vinyl]indole
- 분자식
- C22H24N2O2S
- 분자량
- 380.5
이름 및 동의어
3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indoleRefChem:4879153-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethenyl)-1H-indole180637-89-2(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indoleSCHEMBL505789DTXSID60939362(R)-5-(2-benzenesulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indoleMJICWWOZPCLNBP-LJQANCHMSA-NDB-353589(R)-5-(2-benzenesulfonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole(R)-5-(2-benzenesulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1 H-indole
이름 더 보기
Eletriptan Impurity 23(R)-3-(1-methyl-2-pyrrolidinylmethyl)-5-[2-phenylsulphonyl)vinyl]-1H-indole(R)5-(2-Benzenesulfonyl-vinyl)-3-(1-methyl-pyrrolidin-2-ylmethyl)-1H-indole(R)-5-[(2-phenylsulfonyl)ethenyl]-3-(N-methylpyrrolidine-2-ylmethyl)-1H-indole3-[((2R)-1-Methylpyrrolidin-2-yl)methyl]-5-[(E)-2-(phenylsulfonyl)vinyl]indole(R)-3-[(1-methylpyrrolidin-2-yl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indole(R)-3-[(1-Methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indole1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethenyl]-
(R)-5-(2-Phenylsulfonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole(R)-5-(2-Phenylsulphonylethenyl)-3-(N-methylpyrrolid in-2-ylmethyl)-1H-indole(R)-5-(2-Phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole(R)-5-(2benzenesulfonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole3-{[(2R)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)vinyl]-1H-indole5-[2-(Benzenesulfonyl)ethen-1-yl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole
데이터베이스 식별자
- CAS
180637-89-2- PubChem CID
- 54075398
- DTXSID
DTXSID60939362
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 61.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 621
물리화학적 성질
- 끓는 점
- 617.7 · 617.7±55.0 °C(Predicted)
- 밀도
- 1.263 · 1.263
- 용해도
- soluble in Dichloromethane, Dimethylformamide, Methanol
- 산도 계수 (pKa)
- 16.92 · 16.92±0.30(Predicted)
화학적 성질
Red Solid
안전 및 규제
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
상·하류 제품 정보
하류 제품
공급사16 곳
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