AG00IKGD

3244-88-0 | Disodium 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl)-3-methylbenzenesulfonate

AG00IKGD

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CAS Number	3244-88-0
Catalog Number	AG00IKGD(AGN-PC-0R7RSQ)
Chemical Name	Disodium 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl)-3-methylbenzenesulfonate
EC Number	221-816-5
IUPAC Name	disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate
InChI	InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChI Key	WZRZTHMJPHPAMU-UHFFFAOYSA-L
MDL Number	MFCD00013286
Molecular Formula	C20H16N3Na2O9S3
Molecular Weight	585.5382
SMILES	O=S(C1=CC(C(C2=CC=C(N)C(S(=O)([O-])=O)=C2)=C3C=C(S(=O)([O-])=O)C(C=C3)=N)=CC(C)=C1N)([O-])=O.[H+].[Na+].[Na+]
Synonyms	acid fuchsin, acid violet 19, acid-fuchsin, ammonium acid fuchsin, C.I. acid violet 19, Acid violet 19, Fuchsin acid, 3244-88-0, Acid fuchsin, Acid fuschin, MFCD00013286, Fuchsin S, Rubine S, C.I. 42685, C20H17N3O9S3.2Na, Acid Fuschin sodium salt, ARONIS24262, SCHEMBL17271987, Acid Fuchsin (C.I. 42685), 6551AF, SBB080720, AKOS005267235, AKOS015903355, I14-18800, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dienylidene)me thyl]-3-methylbenzenesulfonic acid, sodium salt, sodium salt, dipotassium 2-amino-5-[(4-amino-3-sulfonatophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate, disodium 2-amino-5-[(4-amino-3-sulfonatophenyl)[(1Z)-4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene]methyl]-3-methylbenzene-1-sulfonate, disodium 2-amino-5-[(Z)-(4-amino-3-sulfophenyl)(4-imino-3-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate, Acid magenta, Acidal fuchsine, Acidal magenta, Acid fuchsine, Fuchsine acid, Acid roseine, Acid rosein, Acid rubin, p-Fuchsine acid, Acid fuchsine N, Acid fuchsine O, Acid fuchsine S, Kiton magenta A, Acid magenta O, Acid magenta 0, Fuchsin (acid), Acid fuchsine FB, Fuchsin(E) acid, Rubine S (6CI), Acid leather magenta A, C.I. Acid Violet 19, UNII-8RA6L21QTM, C20H19N3O9S3.2Na, EINECS 221-816-5, NSC 13979, NSC 56444, C.I. Acid Violet 19, disodium salt, C20-H19-N3-O9-S3.2Na, Fuchsin Acid C. I. No. 42685 25gm, Acid Fuchsin, high purity biological stain - 100G 100g, 3-(1-(4-Amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid, Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl) (4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene )methyl]-3-methyl-, disodium salt, Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt, Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-,disodium salt, disodium 2-amino-5-[(4-amino-3-sulfonatophenyl)(4-imino-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methylbenzenesulfonate,

Complexity	1270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	584.992g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	585.528g/mol
Monoisotopic Mass	584.992g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	270A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number