기본 정보
- CAS
60031-82-5- 표준 SMILES
CCCCCN1/C(=C/C=C/c2oc3ccccc3[n+]2CCCCC)Oc2ccccc21- InChIKey
ZLQJJALHJYCWSH-UHFFFAOYSA-N- 분자식
- C27H33N2O2+
- 평균 분자량
- 417.6 g/mol
- 단동위원소 질량
- 417.2542033
개요
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.
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
60031-82-5- PubChem CID
- 5486728
- ChEBI
CHEBI:86288- UNII
- V09PG9N4HQ
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 1
- 복잡도
- 554
화학 및 산업
약리 정보
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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