기본 정보
- 표준 SMILES
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O- InChIKey
ZBNARPCCDMHDDV-UHFFFAOYSA-N- 분자식
- C34H28N6O14S4
- 평균 분자량
- 872.9 g/mol
- 단동위원소 질량
- 872.05463358
개요
Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.
이름 및 식별자
- 우선 이름
- Trypan Blue free acid
- IUPAC
- 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
이름 및 동의어
Trypan Blue free acid768N7QO4KHUNII-768N7QO4KHRefChem:58585TRYPAN BLUE2538-83-2Trypane BlueDiamineblueDianilblauPyrotropblauParkibleuParkipan
이름 더 보기
Bleu diamineChloramine BlueTripan BlueBenzaminblau 3BChloramiblau 3BAzirdinblau 3BBleu trypane NBenzanil Blue R
데이터베이스 식별자
- CAS
2538-83-2、72-57-1- PubChem CID
- 6297
- DTXSID
DTXSID8048313- ChEMBL
CHEMBL1089641、CHEMBL1206040- ChEBI
CHEBI:78900- UNII
- 768N7QO4KH
- EC Number
- 200-786-7
- Nikkaji
- J1.391.288B
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 393 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,840
실험 및 물리화학적 성질
Chemical ClassesCarcinogens
DrugsPharmaceuticals -> Listed in ZINC15
안전 및 규제
GHS 분류
GHS Classification
Danger
H350 (99%): May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 198 reports by companies from 11 notifications to the ECHA C&L Inventory.
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
유해성 정보
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
C.I. Direct Blue 14: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt: Environment tier I assessment
Hazard Classes and Categories
Carc. 1B (99%)
Carcinogenicity - category 1B
Carcinogenicity - Category 2
Carcinogens
화학 및 산업
약리 정보
Mechanism of ActionTrypan blue ophthalmic drops selectively stains membranes in the human eye during posterior surgery, such as epiretinal membranes (ERM) and Internal Limiting Membranes (ILM).
FDA Pharmacological Classification
768N7QO4KH
TRYPAN BLUE FREE ACID
Established Pharmacologic Class [EPC] - Diagnostic Dye
Mechanisms of Action [MoA] - Dyes
Trypan blue free acid is a Diagnostic Dye. The mechanism of action of trypan blue free acid is as a Dye.
용도 및 제조
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4): ACTIVE
관련 반응
3건
연결된 노트
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