3-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethenyl)-1H-indole

HCID 54075398

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

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

공급사16 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]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]

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