Trypan Blue free acid

HCID 6297
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2538-83-2
Standard 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
Molecular formula
C34H28N6O14S4
Average molar mass
872.9 g/mol
Monoisotopic mass
872.05463358

Overview

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

Names & identifiers

Preferred name
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

Names & synonyms

Trypan Blue free acid768N7QO4KHUNII-768N7QO4KHRefChem:58585TRYPAN BLUE2538-83-2Trypane BlueDiamineblueDianilblauPyrotropblauParkibleuParkipan
Show more names
Bleu diamineChloramine BlueTripan BlueBenzaminblau 3BChloramiblau 3BAzirdinblau 3BBleu trypane NBenzanil Blue R

Database identifiers

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

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
393 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
20
Rotatable bonds
9
Heavy atoms
58

Experimental & physicochemical properties

Chemical ClassesCarcinogens
DrugsPharmaceuticals -> Listed in ZINC15

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Regulatory Information · 3 items

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 items

Carc. 1B (99%)

Carcinogenicity - category 1B

Carcinogenicity - Category 2

Carcinogens

Chemistry & industry

Pharmacology

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 items

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.

Uses & manufacturing

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

Related reactions

3 records
New reaction record

Compound notes

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