기본 정보
- CAS
220927-26-4- 표준 SMILES
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1- InChIKey
UCHDWCPVSPXUMX-XNTDXEJSSA-N- 분자식
- C35H36ClNO3S
- 평균 분자량
- 586.2 g/mol
- 단동위원소 질량
- 585.2104429
개요
2-[1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid is an aromatic compound.
이름 및 식별자
- 우선 이름
- 2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
- IUPAC
- 2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
- 영어명
- Cyclopropaneacetic acid, 1-[[[1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-
- 분자식
- C35H36ClNO3S
- 분자량
- 586.18
이름 및 동의어
220927-26-42-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acidrac-Montelukast acid(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid(E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid2-(1-{[(1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acidrac-MontelukastMontelukast, rac-FCN5GTP4RCMontelukast Acid RacemateMontelukast, (+/-)-SCHEMBL1149660
이름 더 보기
Cyclopropaneacetic acid, 1-[[[1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-
CHEBI:94358UCHDWCPVSPXUMX-XNTDXEJSSA-NHMS5085N072-[1-[[[(1R)-1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acidEBC-47043EBC-47044EN300-217629EN300-22122882
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 95.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 891
실험 및 물리화학적 성질
DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 750.5 · 750.5±60.0 °C(Predicted)
- 밀도
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.76 · 4.76±0.10(Predicted)
화학 및 산업
공급사1 곳
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
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