Trypan Blue free acid

HCID 6297CAS 2538-83-2

部分構造検索類似構造を探す

基本情報

標準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
単同位体質量: 872.05463358

概要

Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.

名称と識別子

優先名称: 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

名称と別名

Trypan Blue free acid768N7QO4KHUNII-768N7QO4KHRefChem:58585TRYPAN BLUE2538-83-2Trypane BlueDiamineblueDianilblauPyrotropblauParkibleuParkipan

名称をさらに表示

Bleu diamineChloramine BlueTripan BlueBenzaminblau 3BChloramiblau 3BAzirdinblau 3BBleu trypane NBenzanil Blue R

データベース識別子

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

物性

構造計算による物性

XLogP: 4.4
極性表面積: 393 Å²
水素結合供与体数: 8
水素結合受容体数: 20
回転可能結合数: 9
重原子数: 58
形式電荷: 0
複雑度: 1,840

実験および物理化学的性質

Chemical ClassesCarcinogens

DrugsPharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 3 件

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 · 4 件

Carc. 1B (99%)

Carcinogenicity - category 1B

Carcinogenicity - Category 2

Carcinogens

化学と産業

薬理情報

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 · 5 件

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.

用途と製造

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