기본 정보
- CAS
2259708-00-2- 표준 SMILES
CCOC(=O)[C@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O- InChIKey
PYNXFZCZUAOOQC-DYESRHJHSA-N- 분자식
- C24H29NO5
- 평균 분자량
- 411.5 g/mol
- 단동위원소 질량
- 411.20457303
이름 및 식별자
- 우선 이름
- 2R,4R-Sacubitril
- IUPAC
- 4-[[(2R,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
- 영어명
- Sacubitril-(2R,4R)-Isomer
- 분자식
- C24H29NO5
- 분자량
- 411.5
이름 및 동의어
2R,4R-Sacubitril766480-48-2(2R,4R)-SacubitrilValsartan Impurity 242259708-00-2Sacubitril-(2R,4R)-Isomer4-[[(2R,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid4-((Rel-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid4-((rel-(2R,4R)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid4-Ethyl (|AR,|AR)-|A-[(3-carboxy-1-oxopropyl)amino]-|A-methyl[1,1 inverted exclamation marka-biphenyl]-4-pentanoateSacubitril Impurity 36(R*,R*)-?-[(3-Carboxy-1-oxopropyl)amino]-a-methyl-[1,1'-biphenyl]-4-pentanoic Acid a-Ethyl Ester; (aR,?R)-rel-?-[(3-Carboxy-1-oxopropyl)amino]-a-methyl-[1,1'-biphenyl]-4-pentanoic Acid 4-Ethyl Ester; Sacubitril-(2R,4R) Isomer;Impurity B
이름 더 보기
LCZ-696 Impurity 94LCZ696 valsartan + sacubitril impurity 44[1,1'-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, 4-ethyl ester, (αR,γR)-4-{[[(1R,3R)-1-[(1,1'-biphenyl)-4-ylmethyl]-4-ethoxy-3-methyl-4-oxobutyl]amino}-4-oxobutyric acid calcium
4-(((2R,4R)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acidpound Ca pound(c)Sacubitril, (2R,4R)-LCZ-696 Impurity 85N4FD68YRJ5orb1706306SCHEMBL18574632RFB48048
데이터베이스 식별자
- CAS
2259708-00-2- PubChem CID
- 9829628
- UNII
- N4FD68YRJ5
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 550
물리화학적 성질
- 끓는 점
- 656.9 · 656.9±55.0 °C(Predicted)
- 밀도
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.72 · 4.72±0.10(Predicted)
화학 및 산업
공급사23 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
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