基本情報
- CAS
66142-94-7- 標準SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1c(O)cc(S(=O)(=O)N(CCO)CCO)c2ccccc12- InChIKey
NPCQCUDIAGLXGU-UHFFFAOYSA-N- 分子式
- C24H25N5O6S
- 平均分子量
- 511.6 g/mol
- 単同位体質量
- 511.15255471
名称と識別子
- 優先名称
- 1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-
- IUPAC
- 3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
名称と別名
DTXSID708867771-Naphthalenesulfonamide, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-RefChem:434806DTXCID40102609766142-94-71-Naphthalenesulfonamide, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Naphthalenesulfonamide, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Phenyl-3-methyl-4-(4'-bis(2''-hydroxyethyl)aminosulfonyl-2'-hydroxynaphthaleneazo)-5-pyrazoloneNPCQCUDIAGLXGU-UHFFFAOYSA-N3-Hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
データベース識別子
- CAS
66142-94-7- PubChem CID
- 105294
- DTXSID
DTXSID70886777- Nikkaji
- J453.356I
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 164 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 926
化学と産業
用途と製造
General Manufacturing Information1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-: INACTIVE
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