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

Details

Stereochemistry ACHIRAL
Molecular Formula C38H34N2O6
Molecular Weight 614.6864
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REACTIVE BLUE 246

SMILES

CC(=C)C(=O)OCCC1=CC=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(NC5=CC=C(CCOC(=O)C(C)=C)C=C5)C=C2)C=C1

InChI

InChIKey=IEPUABWMJBVAAN-UHFFFAOYSA-N
InChI=1S/C38H34N2O6/c1-23(2)37(43)45-21-19-25-9-13-27(14-10-25)39-31-17-18-32(34-33(31)35(41)29-7-5-6-8-30(29)36(34)42)40-28-15-11-26(12-16-28)20-22-46-38(44)24(3)4/h5-18,39-40H,1,3,19-22H2,2,4H3

HIDE SMILES / InChI

Molecular Formula C38H34N2O6
Molecular Weight 614.6864
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:24:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:24:09 GMT 2023
Record UNII
20225PWJ2H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REACTIVE BLUE 246
Common Name English
1,4-BIS(4-(2-METHACRYLOXYETHYL)PHENYLAMINO)ANTHRAQUINONE
Systematic Name English
CI 61548
Common Name English
2-PROPENOIC ACID, 2-METHYL-, (9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BIS(IMINO-4,1-PHENYLENE-2,1-ETHANEDIYL) ESTER
Systematic Name English
2-PROPENOIC ACID, 2-METHYL-, 1,1'-((9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BIS(IMINO-4,1-PHENYLENE-2,1-ETHANEDIYL)) ESTER
Systematic Name English
C.I. 61548
Common Name English
C.I. REACTIVE BLUE 246
Common Name English
Code System Code Type Description
CAS
121888-69-5
Created by admin on Sat Dec 16 09:24:09 GMT 2023 , Edited by admin on Sat Dec 16 09:24:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID10153430
Created by admin on Sat Dec 16 09:24:09 GMT 2023 , Edited by admin on Sat Dec 16 09:24:09 GMT 2023
PRIMARY
PUBCHEM
23168640
Created by admin on Sat Dec 16 09:24:09 GMT 2023 , Edited by admin on Sat Dec 16 09:24:09 GMT 2023
PRIMARY
FDA UNII
20225PWJ2H
Created by admin on Sat Dec 16 09:24:09 GMT 2023 , Edited by admin on Sat Dec 16 09:24:09 GMT 2023
PRIMARY