Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Basic blue 99	68123-13-7	5484230

Structure

Other Information

Canonical SMILES	C[N+](C)(C)C1=CC=CC(=C1)NC2=CC(=C3C(=C(C=C(C3=O)Br)N)C2=O)N.[Cl-]
Iso SMILES	C[N+](C)(C)C1=CC=CC(=C1)NC2=CC(=C3C(=C(C=C(C3=O)Br)N)C2=O)N.[Cl-]
InChI	InChI=1S/C19H19BrN4O2.ClH/c1-24(2,3)11-6-4-5-10(7-11)23-15-9-14(22)16-17(19(15)26)13(21)8-12(20)18(16)25;/h4-9H,1-3H3,(H4-,21,22,23,25,26);1H
InChI Key	RFQSMLBZXQOMKK-UHFFFAOYSA-N
Formula	C19H20BrClN4O2
Mol Weight	451.745
XlogP3	0
Charge	0

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Synonyms Information

CAS Name	[3-[(4,8-diamino-6-bromo-1,5-dioxo-2-naphthalenyl)amino]phenyl]-trimethylammonium chloride
IUPAC Name	[3-[(4,8-diamino-6-bromo-1,5-dioxo-2-naphthyl)amino]phenyl]-trimethyl-ammonium chloride
Openeye Name	[3-[(4,8-diamino-6-bromo-1,5-dioxonaphthalen-2-yl)amino]phenyl]-trimethylazanium chloride
Systematic Name	[3-[[4,8-bis(azanyl)-6-bromanyl-1,5-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl]-trimethyl-azanium chloride
Tratitional Name	[3-[[4,8-bis(azanyl)-6-bromanyl-1,5-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl]-trimethyl-azanium chloride