기본 정보
- CAS
23491-52-3- 표준 SMILES
CCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1- InChIKey
PRDFBSVERLRRMY-UHFFFAOYSA-N- 분자식
- C27H28N6O
- 평균 분자량
- 452.6 g/mol
- 단동위원소 질량
- 452.23245954
이름 및 식별자
- 우선 이름
- Bisbenzimide
- IUPAC
- 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
- 현지명
- 훽스트33342
- 영어명
- Hoechst 33342
- 분자식
- C27H28N6O
- 분자량
- 452.55
이름 및 동의어
Hoechst 3334223491-52-3BisbenzimideHoe 33342Ho 34299KZS6CNZX2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole2,5'-BIBENZIMIDAZOLE, 2'-(p-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-DTXSID801780592'-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazoleRefChem:788417DTXCID60100550
이름 더 보기
훽스트3334233342hoescht 33342ho342Hoest 33342Hoechst®HOECHST 33342HOE-33342 3HCLHOECHST NO 33342
H33342Bisbenzimide ethoxide2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazolebisBenzimide H 33342 trihydrochloride2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazoleCHEMBL343002
데이터베이스 식별자
- CAS
23491-52-3- PubChem CID
- 1464
- DTXSID
DTXSID80178059- ChEMBL
CHEMBL343002- ChEBI
CHEBI:51232- UNII
- 99KZS6CNZX
- EC Number
- 245-691-1
- Nikkaji
- J283.606H
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 73.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 664
실험 및 물리화학적 성질
Physical DescriptionYellow-green powder; [Acros Organics MSDS]
물리화학적 성질
- 끓는 점
- 725.9 · 725.9±70.0 °C(Predicted)
- 밀도
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 가용성20mg/mL
- 물리적 상태
- 노란색 고체
- 산도 계수 (pKa)
- 10.97 · 10.97±0.10(Predicted)
- 색상
- Brown to breen
- 수용성
- 1 mg/mL · Water : 1 mg/mL (2.21 mM; ultrasonic and warming and heat to 80°C)
- BRN
- 1234011 · 1234011
- InChIKey
- PRDFBSVERLRRMY-UHFFFAOYSA-N
- SMILES
- C1(C2C=C3NC(C4=CC=C(OCC)C=C4)=NC3=CC=2)NC2=CC(N3CCN(C)CC3)=CC=C2N=1
화학적 성질
yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (90.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Bisbenzimidazole trihydrochloride.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (97.7%)；STOT SE 3 (100%)；Muta. 2 (90.7%)
규제 정보
Regulatory Information2,5'-Bi-1H-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-: Does not have an individual approval but may be used under an appropriate group standard
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.
Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
용도 및 제조
UsesBenzimidazole fluorescent dye. [ChemIDplus]
응용 분야
용도Hoechst 33342 is useful for staining DNA, chromosomes and nuclei. May be used for fluorescence microscopy or flow cytometry. Suitable for vital DNA staining of a variety of cell types and as a probe of membrane permeability in mammalian cells.
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