CAS 866923-62-8 Montelukast nitrile (HCID 16123405)

기본 정보

CAS: 866923-62-8
표준 SMILES: CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC#N)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChIKey: LFNFSZSLPYLMBG-LDXVMNHOSA-N
분자식: C35H35ClN2OS
평균 분자량: 567.2 g/mol
단동위원소 질량: 566.2158626

이름 및 식별자

우선 이름: Montelukast nitrile
IUPAC: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetonitrile
현지명: 몬테루카스트시클로프로판아세토니트릴
영어명: Montelukast Cyclopropaneacetonitrile
분자식: C35H35ClN2OS
분자량: 567.18

이름 및 동의어

866923-62-8montelukast nitrileMontelukast CyclopropaneacetonitrileMontelukast nitrile impurityMOK-1 nitrileYS7B2ZWL9Z2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetonitrileMontelukast Impurity 9(R,E)-2-(1-((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetonitrile(R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetonitrile{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetonitrile2-(1-((1-(3-((E)-2-(7-Chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanylmethyl)cyclopropyl)acetonitrile

이름 더 보기

몬테루카스트시클로프로판아세토니트릴Montelukast Impurity 23Montelukast Nitrile ImpuritMontelukast nitrile impurities

물성

구조 계산 물성

XLogP: 7.9
극성 표면적: 82.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 11
무거운 원자 수: 40
형식 전하: 0
복잡도: 893

물리화학적 성질

끓는 점: 731.5 · 731.5±60.0 °C(Predicted)
밀도: 1.234 · 1.234±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.48 · 14.48±0.29(Predicted)

화학 및 산업

응용 분야

용도Montelukast Cyclopropaneacetonitrile is an impurity in the synthesis of Montelukast (M568000), a selective leukotriene D4-receptor antagonist. Used as an antiasthmatic.

공급사24 곳

上海策嵘生物科技有限公司[email protected]

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]

深圳市简一生物科技有限公司0755-84826604 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

화합물 노트

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