基本情報
- CAS
61489-48-3- 標準SMILES
O=S(=O)(O)c1ccc(N=C2C=CC(=C(c3ccc(Nc4ccc(S(=O)(=O)O)cc4)cc3)c3ccc(Nc4ccc(S(=O)(=O)O)cc4)cc3)C=C2)cc1- InChIKey
RFKJHQXSLBUONF-UHFFFAOYSA-N- 分子式
- C37H29N3O9S3
- 平均分子量
- 755.8 g/mol
- 単同位体質量
- 755.10659303
概要
Methyl blue free acid is an arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue). It is an imine, an arenesulfonic acid, an aromatic amine and a secondary amino compound. It is a conjugate acid of a methyl blue(2-).
名称と識別子
- 優先名称
- Aniline Blue
- IUPAC
- 4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid
- 英語名
- AnilineBlueAlcoholSolubleC.I.42775
- 分子式
- C37H29N3O9S3
- 分子量
- 755.83586
名称と別名
61489-48-3RefChem:915883DTXSID301054465Aniline Bluemethyl blue free acid4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid)SCHEMBL17279091CHEBI:87477DTXSID70865461RFKJHQXSLBUONF-UHFFFAOYSA-NAKOS015916530
名称をさらに表示
AnilineBlue(Masson)SolutionAnilineBlue1%AqueousSolutionAnilineBlue1%AlcoholicSolutionAnilineBlueAlcoholSolubleC.I.42775
NS00021363Q27159656[[4-[Bis[4-[(sulfophenyl)amino]-phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulfonic acid4,4'-[({4-[(4-Sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis(4,1-phenyleneazanediyl)]di(benzene-1-sulfonic acid)
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 225 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 12
- 回転可能結合数
- 10
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,570
化学と産業
薬理情報
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
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補足説明
定義ChEBI: An arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue).
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