DIRECT BLUE 1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H24N6O16S4.4Na
Molecular Weight	992.804
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].COC1=C(C=CC(=C1)C2=CC(OC)=C(C=C2)\N=N\C3=C(O)C4=C(N)C(=CC(=C4C=C3)S([O-])(=O)=O)S([O-])(=O)=O)\N=N\C5=CC=C6C(=CC(=C(N)C6=C5O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=BPHHNXJPFPEJOF-GPTZEZBUSA-J

InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C34H24N6O16S4
Molecular Weight	900.845
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vesicular glutamate transporter 3 3 Target ID: CHEMBL3472 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12014964	Inhibitor 8297		190.0 nM [Ki]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:47:27 GMT 2023` Edited by `admin` on `Sat Dec 16 08:47:27 GMT 2023`
Record UNII	8NN34MAQ6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 1

Common Name

English

C.I. DIRECT BLUE 1 TETRASODIUM

Common Name

English

CI DIRECT BLUE 1, TETRASODIUM SALT

Common Name

English

CI DIRECT BLUE 1 TETRASODIUM

Common Name

English

CI 24410

Common Name

English

CHICAGO BLUE 6B

Brand Name

English

C.I. DIRECT BLUE 1

Common Name

English

TERTRODIRECT BLUE FF

Brand Name

English

CI DIRECT BLUE 1 [HSDB]

Common Name

English

SKY BLUE 6B

Brand Name

English

1,3-NAPHTHALENEDISULFONIC ACID, 6,6'-((3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4-AMINO-5-HYDROXY-, SODIUM SALT (1:4)

Systematic Name

English

NSC-9617

Code

English

NSC-51538

Code

English

6,8-NAPHTHALENEDISULFONIC ACID, 3,3'-((3,3'-DIMETHOXY-4,4'-BIPHENYLENE)BIS(AZO)BIS(5-AMINO-4-HYDROXY-, TETRASODIUM SALT

Systematic Name

English

1,3-NAPHTHALENEDISULFONIC ACID, 6,6'-((3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(4-AMINO-5-HYDROXY-, TETRASODIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

8NN34MAQ6H