기본 정보
- CAS
62796-23-0- 표준 SMILES
CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S.[Na+]- InChIKey
OSQUFVVXNRMSHL-UHFFFAOYSA-M- 분자식
- C26H32N3NaO6S2
- 평균 분자량
- 569.7 g/mol
- 단동위원소 질량
- 569.16302238
이름 및 식별자
- 우선 이름
- 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
- 현지명
- 메로시아닌540
- 영어명
- MEROCYANINE 540
- 분자식
- C26H33N3O6S2.Na
- 분자량
- 570.68
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
62796-23-0- PubChem CID
- 4072
- DTXSID
DTXSID8069646- EC Number
- 636-309-8
물성
구조 계산 물성
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 녹는점
- 285 °C · 285 °C (dec.)(lit.)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- Solid
- 색상
- 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
- 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)
화학적 성질
PURPLE CRYSTALLINE SOLID
안전 및 규제
GHS 분류
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.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DM4866500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 3-8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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.
용도 및 제조
응용 분야
용도Merocyanine 540 is a fluorescent axonal stain.
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