Acid blue 47 free acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N2O5S
Molecular Weight	422.454
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Acid blue 47 free acid

Structure Search

SMILES

CC1=CC(=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(N)C(C)=C2)C=C1)S(O)(=O)=O

InChI

InChIKey=NPTFPGVUCJVNBW-UHFFFAOYSA-N

InChI=1S/C22H18N2O5S/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Acid blue 47 free acid

Common Name

English

2-[(4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-

Systematic Name

English

4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulfonic acid

Systematic Name

English

4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

5HX9DL6CCK

Created by admin on Sat Dec 16 12:13:46 GMT 2023 , Edited by admin on Sat Dec 16 12:13:46 GMT 2023

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PUBCHEM

78119

Created by admin on Sat Dec 16 12:13:46 GMT 2023 , Edited by admin on Sat Dec 16 12:13:46 GMT 2023

PRIMARY

ECHA (EC/EINECS)

248-620-2

Created by admin on Sat Dec 16 12:13:46 GMT 2023 , Edited by admin on Sat Dec 16 12:13:46 GMT 2023

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EPA CompTox

DTXSID40182071

Created by admin on Sat Dec 16 12:13:46 GMT 2023 , Edited by admin on Sat Dec 16 12:13:46 GMT 2023

PRIMARY

CAS

27711-76-8

Created by admin on Sat Dec 16 12:13:46 GMT 2023 , Edited by admin on Sat Dec 16 12:13:46 GMT 2023

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SALT/SOLVATE (PARENT)


					W8RGM644MX

SUBSTANCE RECORD


					5HX9DL6CCK

Acid blue 47 free acid