U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 3C37H34N2O9S3.2Al
Molecular Weight 2294.57
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FD&C BLUE NO. 1 ALUMINUM LAKE

SMILES

[Al+3].[Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S([O-])(=O)=O)C5=CC=CC=C5S([O-])(=O)=O.CCN(CC6=CC(=CC=C6)S([O-])(=O)=O)C7=CC=C(C=C7)C(=C8C=CC(C=C8)=[N+](CC)CC9=CC(=CC=C9)S([O-])(=O)=O)C%10=CC=CC=C%10S([O-])(=O)=O.CCN(CC%11=CC(=CC=C%11)S([O-])(=O)=O)C%12=CC=C(C=C%12)C(=C%13C=CC(C=C%13)=[N+](CC)CC%14=CC(=CC=C%14)S([O-])(=O)=O)C%15=CC=CC=C%15S([O-])(=O)=O

InChI

InChIKey=KQVJZDZLEDQCSD-UHFFFAOYSA-H
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

HIDE SMILES / InChI

Approval Year

Name Type Language
FD&C BLUE NO. 1 ALUMINUM LAKE
Common Name English
FD&C BLUE NO. 1-ALUMINUM LAKE
II  
Common Name English
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
Common Name English
DYE FDC BLUE NO. 1 H.T. ALUMINIUM LAKE
Common Name English
DYE FDC BLUE NO. 1 ALUMINIUM LAKE
Common Name English
ACID BLUE 9 ALUMINUM LAKE [INCI]
Common Name English
C.I. FOOD BLUE 2 ALUMINUM LAKE
Common Name English
UNIPURE BLUE LC 621
Brand Name English
CI 42090:2
Code English
C.I. PIGMENT BLUE 78
Common Name English
A512 TUDOR BLUEBELL
Brand Name English
FD&C BLUE NO. 1--ALUMINIUM LAKE
Common Name English
CALISHA ART DEC BLUE 1 LAKE
Brand Name English
FDC BLUE NO. 1-ALUMINUM LAKE
Common Name English
FD&C BLUE LAKE NO 1
Brand Name English
FD&C BLUE NO. 1--ALUMINUM LAKE
Common Name English
PIGMENT BLUE 78
Common Name English
FD AND C BLUE NO. 1 LAKE
Common Name English
JAPAN BLUE 1 ALUMINUM LAKE
Common Name English
C39-4433 BLUE LAKE
Brand Name English
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
Common Name English
BLUE 1 LAKE [INCI]
Common Name English
BLUE 1 LAKE
INCI  
INCI  
Official Name English
N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM, HYDROXIDE, INNER SALT, ALUMINUM SALT
Common Name English
Code System Code Type Description
CAS
15792-67-3
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
SMS_ID
100000127354
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
CAS
68921-42-6
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
NON-SPECIFIC STOICHIOMETRY
DAILYMED
J9EQA3S2JM
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
FDA UNII
J9EQA3S2JM
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
PUBCHEM
11979396
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID601015325
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
272-939-6
Created by admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
PRIMARY