Acid Blue 145 Free Acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H16N2O8S2
Molecular Weight	488.49
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(N)C(=C2)S(O)(=O)=O)C(=C1)S(O)(=O)=O

InChI

InChIKey=ZXJLRDYNAAGYLU-UHFFFAOYSA-N

InChI=1S/C21H16N2O8S2/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula	C21H16N2O8S2
Molecular Weight	488.49
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:12:56 GMT 2025` Edited by `admin` on `Tue Apr 01 18:12:56 GMT 2025`
Record UNII	494T7W9RR4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-2-anthracenesulfonic acid

Preferred Name

English

Acid Blue 145 Free Acid

Common Name

English

2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(2-sulfo-p-toluidino)-

Systematic Name

English

2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-

Systematic Name

English

1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonicacid

Systematic Name

English

Code System Code Type Description

CAS

6247-36-5

Created by admin on Tue Apr 01 18:12:56 GMT 2025 , Edited by admin on Tue Apr 01 18:12:56 GMT 2025

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FDA UNII

494T7W9RR4

Created by admin on Tue Apr 01 18:12:56 GMT 2025 , Edited by admin on Tue Apr 01 18:12:56 GMT 2025

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EPA CompTox

DTXSID2064159

Created by admin on Tue Apr 01 18:12:56 GMT 2025 , Edited by admin on Tue Apr 01 18:12:56 GMT 2025

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PUBCHEM

62607

Created by admin on Tue Apr 01 18:12:56 GMT 2025 , Edited by admin on Tue Apr 01 18:12:56 GMT 2025

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