(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester

HCID 44404147
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1
InChIKey
FBOUYBDGKBSUES-HMTLIYDFSA-N
분자식
C23H26N2O2
평균 분자량
362.5 g/mol

이름 및 식별자

우선 이름
(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester
IUPAC
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

이름 및 동의어

CHEMBL4398672(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,(3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (1S)-(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester(3R)-1-azabicyclo[2.2.2]octan-3-yl 1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate869883-94-3SCHEMBL1478523SCHEMBL1566459FBOUYBDGKBSUES-HMTLIYDFSA-NBDBM50175570EBC-12343EN300-27070304[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
이름 더 보기
[(3R)-quinuclidin-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate(S)-1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester

데이터베이스 식별자

PubChem CID
44404147
ChEMBL
CHEMBL439867

물성

구조 계산 물성

XLogP
4
극성 표면적
32.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
27

관련 반응

1건
반응 기록 만들기

연결된 노트

불러오는 중…