正在补全数据，通常 1 分钟内完成
基本信息
- 标准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- 分子式
- C34H28N6O14S4
- 平均分子量
- 872.9 g/mol
- 单同位素质量
- 872.05463358
概述
Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.
名称与标识
- 首选名称
- 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
- 英文名
- trypan blue sulfonic acid
- 分子式
- C34H28N6O14S4
- 分子量
- 872.878
名称与别名
Trypan Blue free acid768N7QO4KHUNII-768N7QO4KHRefChem:58585TRYPAN BLUE2538-83-2Trypane BlueDiamineblueDianilblauPyrotropblauParkibleuParkipan
展开更多名称
trypanbluesulfonicacid
Bleu diamineChloramine BlueTripan BlueBenzaminblau 3BChloramiblau 3BAzirdinblau 3BBleu trypane NBenzanil Blue R
数据库标识
- 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
性质
结构计算性质补全中
- XLogP
- 4.4
- 极性表面积
- 393 Ų
- 氢键供体
- 8
- 氢键受体
- 20
- 可旋转键
- 9
- 重原子
- 58
- 形式电荷
- 0
- 复杂度
- 1,840
实验与物化性质
Chemical ClassesCarcinogens
DrugsPharmaceuticals -> Listed in ZINC15
安全与法规
GHS分类
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]
危害信息
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
化学与工业
药理信息
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.
用途与制造
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
相关反应
3 条
关联笔记
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