(3r)-3-({2-Benzyl-6-[(3r,4s)-3-Hydroxy-4-Methoxypyrrolidin-1-Yl]pyridin-3-Yl}ethynyl)-1-Azabicyclo[2.2.2]octan-3-Ol

HCID 44450555
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기본 정보

표준 SMILES
CO[C@H]1CN(c2ccc(C#C[C@@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O
InChIKey
NDEOTZXSBKCQLS-RMTZWNOUSA-N
분자식
C26H31N3O3
평균 분자량
433.5 g/mol

이름 및 식별자

우선 이름
(3r)-3-({2-Benzyl-6-[(3r,4s)-3-Hydroxy-4-Methoxypyrrolidin-1-Yl]pyridin-3-Yl}ethynyl)-1-Azabicyclo[2.2.2]octan-3-Ol
IUPAC
(3R)-3-[2-[2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]-3-pyridinyl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

이름 및 동의어

CHEMBL258717(3r)-3-({2-Benzyl-6-[(3r,4s)-3-Hydroxy-4-Methoxypyrrolidin-1-Yl]pyridin-3-Yl}ethynyl)-1-Azabicyclo[2.2.2]octan-3-OlE5SSCHEMBL6376421NDEOTZXSBKCQLS-RMTZWNOUSA-NGLXC-15714BDBM50208574Q27459853(3R)-3-[2-[2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxy-pyrrolidin-1-yl]-3-pyridyl]ethynyl]quinuclidin-3-ol(3R)-3-[2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidine-1-yl)-3-pyridyl]ethynyl-3-quinuclidinol(R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol(R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol
이름 더 보기
{(3R)-3-[[2-Benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl]ethynyl]quinuclidin-3-ol mono-hydradte}

데이터베이스 식별자

PubChem CID
44450555
ChEMBL
CHEMBL258717
Nikkaji
J2.968.675K

물성

구조 계산 물성

XLogP
2.3
극성 표면적
69.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
32

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