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

Details

Stereochemistry ACHIRAL
Molecular Formula C37H28N3O9S3.2Na
Molecular Weight 800.807
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYL BLUE

SMILES

[Na+].[Na+].OS(=O)(=O)C1=CC=C(NC2=CC=C(C=C2)C(C3=CC=C(NC4=CC=C(C=C4)S([O-])(=O)=O)C=C3)=C5C=CC(C=C5)=[NH+]C6=CC=C(C=C6)S([O-])(=O)=O)C=C1

InChI

InChIKey=MCPLVIGCWWTHFH-UHFFFAOYSA-M
InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL BLUE
MI  
Common Name English
BENZENESULFONIC ACID, ((4-(BIS(4-((SULFOPHENYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)AMINO)-, SODIUM SALT (1:2)
Common Name English
BRILLIANT COTTON BLUE
Common Name English
C.I. 42780
Common Name English
C.I. ACID BLUE 93
Common Name English
CI 42780
Common Name English
((4-(BIS(4-((SULFOPHENYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)AMINO)BENZENESULFONIC ACID SODIUM SALT (1:2)
Common Name English
SODIUM TRIPHENYL-P-ROSANILINETRISULFATE
Common Name English
HELVETIA BLUE
Common Name English
METHYL BLUE [MI]
Common Name English
Code System Code Type Description
RXCUI
2176448
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
CAS
6415-98-1
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
MAJOR COMPONENT STRUCTURE/SEQUENCE
WIKIPEDIA
METHYL BLUE
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
PUBCHEM
76956083
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-121-9
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
ALTERNATIVE
MERCK INDEX
m7372
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY Merck Index
CHEBI
87472
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID90889705
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
FDA UNII
9ZI2A1BMBB
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-352-9
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY
CAS
28983-56-4
Created by admin on Fri Dec 15 18:02:48 GMT 2023 , Edited by admin on Fri Dec 15 18:02:48 GMT 2023
PRIMARY