1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrasodium;(3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

2.1.2 InChI

InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,37-38H,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/b39-31-,40-32-;;;;

2.1.3 InChI Key

WMYVHJWZUUEZNE-IWEIECJKSA-J

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])C)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

2.1.5 Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=O)C4=C(C=C3S(=O)(=O)[O-])C=C(C=C4N)S(=O)(=O)[O-])C)N/N=C/5\C(=O)C6=C(C=C5S(=O)(=O)[O-])C=C(C=C6N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. D92360

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₂₄N₆Na₄O₁₄S₄
Molecular Weight	960.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	5
Exact Mass	959.9824113 g/mol
Monoisotopic Mass	959.9824113 g/mol
Topological Polar Surface Area	397 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	2030
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Visionblue
PubMed Health	Trypan Blue (Into the eye)
Drug Classes	Disclosing Agent, Surgical Aid, Ocular
Drug Label	VisionBlue (trypan blue ophthalmic solution) 0.06% is a sterile solution of trypan blue (an acid di-azo group dye). VisionBlue is a selective tiue staining agent for use as a medical aid in ophthalmic surgery. Each mL of VisionBlue 0.06% c...
Active Ingredient	Trypan blue
Dosage Form	Solution
Route	Ophthalmic
Strength	0.06%
Market Status	Prescription
Company	Dorc

2 of 2
Drug Name	Visionblue
PubMed Health	Trypan Blue (Into the eye)
Drug Classes	Disclosing Agent, Surgical Aid, Ocular
Drug Label	VisionBlue (trypan blue ophthalmic solution) 0.06% is a sterile solution of trypan blue (an acid di-azo group dye). VisionBlue is a selective tiue staining agent for use as a medical aid in ophthalmic surgery. Each mL of VisionBlue 0.06% c...
Active Ingredient	Trypan blue
Dosage Form	Solution
Route	Ophthalmic
Strength	0.06%
Market Status	Prescription
Company	Dorc

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