기본 정보
- CAS
252638-01-0- 표준 SMILES
CC1CC(=O)OC1(N=[N+]=[N-])c1ccc(NN=C(C#N)C#N)cc1- InChIKey
KWFMPQFMZALWEW-UHFFFAOYSA-N- 분자식
- C14H11N7O2
- 평균 분자량
- 309.28 g/mol
- 단동위원소 질량
- 309.09742262
이름 및 식별자
- 우선 이름
- CID 9926643
- IUPAC
- 2-[[4-(2-azido-3-methyl-5-oxooxolan-2-yl)phenyl]hydrazinylidene]propanedinitrile
- 영어명
- 2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile (Mixture of DiasteroMers)
- 분자식
- C14H11N7O2
- 분자량
- 309.28284
이름 및 동의어
Levosimendan ImpurityKWFMPQFMZALWEW-UHFFFAOYSA-NLevosimendan Impurity 28(Mixture of Diastereomers)2-[2-[4-(2-Azidotetrahydro-3-methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile2-[2-[4-(2-Azidotetrahydro-3-methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile ( Diaste2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile DISCONTINUEDLevosimendan Impurity (2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-Furanyl)phenyl]hydrazinylidene]propanedinitrile)2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile (Mixture of DiasteroMers)2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile (Mixture of DiasteroMers) DISCONTINUED2-[2-[4-(2-Azidotetrahydro-3-Methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile (Mixture of DiasteroMers) ISO 9001：2015 REACH
데이터베이스 식별자
- CAS
252638-01-0- PubChem CID
- 9926643
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- InChI
- InChI=1S/C14H11N7O2/c1-9-6-13(22)23-14(9,20-21-17)10-2-4-11(5-3-10)18-19-12(7-15)8-16/h2-5,9,18H,6H2,1H3
- InChIKey
- KWFMPQFMZALWEW-UHFFFAOYSA-N
- SMILES
- c1cc(C2(N=[N+]#[N-])OC(=O)CC2C)ccc1N/N=C(\C#N)/C#N
화학 및 산업
응용 분야
용도2-[2-[4-(2-Azidotetrahydro-3-methyl-5-oxo-2-furanyl)phenyl]hydrazinylidene]propanedinitrile is an impurity of Levosimendan (L378000), a positive inotropic agent with vasodilating activity. Cardiotonic.
공급사34 곳
济南百隆化学有限公司[email protected] · [email protected]
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Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
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