Details of the Drug Excipient
General Information of Drug Inactive Ingredient (DIG) (ID: E00512)
| DIG Name |
Food blue 1 aluminum lake
|
||||
|---|---|---|---|---|---|
| Synonyms |
C.I. Acid Blue 9, aluminum salt (3:2); Food blue no 1 aluminum lake; UNII-J9EQA3S2JM; J9EQA3S2JM; 15792-67-3; 68921-42-6; EINECS 239-897-0; Food blue No.1 aluminum lake; DTXSID601015325; FD&C Blue No. 1--aluminum lake; MFCD00198070; 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 (3:2); 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 (3:2); Hexahydrogen tris((ethyl)(4-((4-(ethyl(3-sulphonatobenzyl)amino)phenyl)(2-sulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium), dialuminium salt; Hexahydrogen tris[(ethyl)[4-[[4-[ethyl(3-sulfonatobenzyl)amino]phenyl](2-sulfonatophenyl)methylene]cyclohexa-2,5-dien-
|
||||
| DIG Function |
Colorant
|
||||
| Formula |
C111H102Al2N6O27S9
|
||||
| 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-].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-].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+3].[Al+3]
|
||||
| InChI |
1S/3C37H36N2O9S3.2Al/c3*1-3-38(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;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6
|
||||
| InChIKey |
KQVJZDZLEDQCSD-UHFFFAOYSA-H
|
||||
| Physicochemical Properties | Molecular Weight | 2294.6 | Topological Polar Surface Area | 609 | |
| XlogP | N.A. | Complexity | 1510 | ||
| Heavy Atom Count | 155 | Rotatable Bond Count | 27 | ||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 30 | ||
Full List of Drug(s) Co-administrated with This DIG