基本情報
- CAS
62796-23-0- 標準SMILES
CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S.[Na+]- InChIKey
OSQUFVVXNRMSHL-UHFFFAOYSA-M- 分子式
- C26H32N3NaO6S2
- 平均分子量
- 569.7 g/mol
- 単同位体質量
- 569.16302238
名称と識別子
- 優先名称
- Merocyanine 540
- IUPAC
- sodium 3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
- 現地名
- 2-[4-(1,3-ジブチル-1,3,4,6-テトラヒドロ-4,6-ジオキソ-2-チオキソピリミジン-5(2H)-イリデン)-2-ブテニリデン]-3(2H)-ベンゾオキサゾールプロパン-1-スルホン酸ナトリウム
- 英語名
- MEROCYANINE 540
- 分子式
- C26H33N3O6S2.Na
- 分子量
- 570.68
名称と別名
名称をさらに表示
データベース識別子
- CAS
62796-23-0- PubChem CID
- 4072
- DTXSID
DTXSID8069646- EC Number
- 636-309-8
物性
構造計算による物性
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 12
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 1,020
物理化学的性質
- 融点
- 285 °C · 285 °C (dec.)(lit.)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO:可溶
- 外見
- Solid
- 色
- Dark purple to black
- BRN
- 3585252 · 3585252
- InChIKey
- OSQUFVVXNRMSHL-LTHRDKTGSA-M
- SMILES
- [Na+].CCCCN1C(=O)C(=C\C=C\C=C2/Oc3ccccc3N2CCCS([O-])(=O)=O)\C(=O)N(CCCC)C1=S
- EPAの化学物質情報
- 3 · 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-, sodium salt (62796-23-0)
化学的性質
化学的特性PURPLE CRYSTALLINE SOLID
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DM4866500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
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.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.
用途と製造
応用分野
使用Merocyanine 540 is a fluorescent axonal stain.
サプライヤー41 社
関連反応
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…