基本情報
- CAS
117038-70-7- 標準SMILES
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC- InChIKey
CFBVWCHTNQHZLT-UHFFFAOYSA-N- 分子式
- C22H17N7O13S2
- 平均分子量
- 651.5 g/mol
- 単同位体質量
- 651.03257597
概要
structure given in first source
名称と識別子
- 優先名称
- 2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide
- IUPAC
- 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate
名称と別名
Xtt tetrazolium117038-70-72,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxideG6SHJ3NX672,3-bis (2-methoxy-4-nitro-5-sulfophenyl)-2h-tetrazolium-5-carboxanilideRefChem:814912,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner saltCHEMBL3546154SCHEMBL29393905SCHEMBL316830512H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-, hydroxide, inner salt2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt
データベース識別子
- CAS
117038-70-7- PubChem CID
- 5704
- ChEMBL
CHEMBL3546154- UNII
- G6SHJ3NX67
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 302 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 15
- 回転可能結合数
- 7
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,260
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
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