Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0QA6S)
DIG Name	Acid blue 9 aluminum lake
Synonyms	Click to Show/Hide the Synonyms of This DIG C.I. Pigment Blue 78; Pigment Blue 78; Acid Blue 9-aluminum lake; Japan Blue 1-aluminum lake; Food Blue No. 1-aluminum lake; C.I. Acid Blue 9-aluminum lake; C.I. Food Blue 2-aluminum lake; 68921-42-6; Blue 1 lake; Brilliant Blue FCF Lake; Acid blue 9 aluminum lake; C.I. Food Blue 2:1; Japan Blue 1 aluminum lake; FD and C Blue No. 1 Lake; FD&C Blue #1 Aluminum Lake; D&C Blue No. 1 aluminum lake; C.I. Food Blue 2 aluminum lake; EINECS 272-939-6; C.I. 42090:2; EC 272-939-6; FD&C Blue No. 1-aluminum lake; FD & C Blue no. 1 aluminum lake; Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadi; CI 42090:2; Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, aluminum salt; Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, aluminum salt; Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, aluminum salt (1:?); Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulphophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, aluminum salt; Dihydrogen (ethyl)(4-((4-(ethyl(3-sulphonatobenzyl)amino)phenyl)(2-sulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, aluminium salt; N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sul- fophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzeneme- thanaminium, hydroxide, inner salt, aluminum salt
DIG Function	Colorant
PubChem CID	56841154
Formula	C37H36AlN2O9S3
Canonical SMILES	CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O.[Al]
InChI	1S/C37H36N2O9S3.Al/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);
InChIKey	IABOFWNBSBFGGI-UHFFFAOYSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=56841154"></iframe>
Structure	3D MOL is not available		2D MOL
Physicochemical Properties	Molecular Weight	775.9	Topological Polar Surface Area	197
	XlogP	N.A.	Complexity	1630
	Heavy Atom Count	52	Rotatable Bond Count	11
	Hydrogen Bond Donor Count	2	Hydrogen Bond Acceptor Count	10

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 02		Benign/in-situ/malignant neoplasm	Click to Show/Hide
Rucaparib	API Info	Ovarian cancer [ICD-11: 2C73]		[1]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Pentosan polysulfate	API Info	Anaesthesia [ICD-11: 8E22]		[2]

References
1	FDA label for approved rucaparib from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved pentosan polysulfate from the official website of the U.S. Food and Drug Administration.

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