基本情報
- CAS
60031-82-5- 標準SMILES
CCCCCN1/C(=C/C=C/c2oc3ccccc3[n+]2CCCCC)Oc2ccccc21- InChIKey
ZLQJJALHJYCWSH-UHFFFAOYSA-N- 分子式
- C27H33N2O2+
- 平均分子量
- 417.6 g/mol
- 単同位体質量
- 417.2542033
概要
3,3'-dipentyloxacarbocyanine is the cationic form of a C3 cyanine dye having 3-pentyl-1,3-benzoxazol-2(3H)-yl units at each end. A fluorescent compound that preferentially stains chronic myelogenic leukemia cells. It has a role as a fluorochrome. It is a cyanine dye and a benzoxazolium ion.
名称と識別子
- 優先名称
- 3,3'-Dipentyloxacarbocyanine
- IUPAC
- (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
名称と別名
3,3'-Dipentyloxacarbocyanine3,3'-dipentyl-2,2'-oxacarbocyanineV09PG9N4HQ60031-82-5Dioc(5)(3)CHEBI:86288DiOC5(3)3-Pentyl-2-(3-(3-pentyl-2(3H)-benzoxazolylidene)-1-propenyl)benzoxazoliumRefChem:90706UNII-V09PG9N4HQAKOS000814030(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
名称をさらに表示
Q271590553-PENTYL-2-(3-(3-PENTYL-2(3H)-BENZOXAZOLYLIDENE)-1-PROPEN-1-YL)BENZOXAZOLIUMBENZOXAZOLIUM, 3-PENTYL-2-(3-(3-PENTYL-2(3H)-BENZOXAZOLYLIDENE)-1-PROPEN-1-YL)-3-pentyl-2-[3-(3-pentyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
データベース識別子
- CAS
60031-82-5- PubChem CID
- 5486728
- ChEBI
CHEBI:86288- UNII
- V09PG9N4HQ
物性
構造計算による物性
- XLogP
- 8
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 10
- 重原子数
- 31
- 形式電荷
- 1
- 複雑度
- 554
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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