基本情報
- CAS
144301-94-0- 標準SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H](N=C(NC#N)Nc2ccc(Cl)cc2)[C@@H]1O- InChIKey
VLICJSLDCJXZBG-MSOLQXFVSA-N- 分子式
- C20H18ClN5O2
- 平均分子量
- 395.8 g/mol
- 単同位体質量
- 395.1149025
名称と識別子
- 優先名称
- 1-(4-chlorophenyl)-3-cyano-2-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)guanidine
- IUPAC
- 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine
名称と別名
1-(4-chlorophenyl)-3-cyano-2-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)guanidine1-(4-chlorophenyl)-3-cyano-2-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2h-chromen-4-yl]guanidineRefChem:907358144301-94-0BMS-1804481-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine9B1I77MS94UNII-9B1I77MS94CHEMBL44340SCHEMBL4254900SCHEMBL6374973SCHEMBL13970141
名称をさらに表示
SCHEMBL31584502DTXSID501107038Q27272290GUANIDINE, N-(4-CHLOROPHENYL)-N'-CYANO-N''-((3S,4R)-6-CYANO-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL)-GUANIDINE, N-(4-CHLOROPHENYL)-N'-CYANO-N''-(6-CYANO-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL)-, (3S-TRANS)-N-(4-Chlorophenyl)-Na(2)-cyano-Na(2)a(2)-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]guanidine
データベース識別子
- CAS
144301-94-0- PubChem CID
- 60880
- DTXSID
DTXSID501107038
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 685
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Drugs used to cause dilation of the blood vessels.
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