Compound Summary
Compound Information
Reactive Blue 2
Compound Name: | Reactive Blue 2 |
Compound CID: | 656725 |
Synonyms: | Reactive Blue 2 12236-82-7 Affi gel blue Cibacron Blue 3G Procion Blue H-B More... |
Iupac Name: | 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid |
InChI: | InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) |
InChIKey: | JQYMGXZJTCOARG-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N |
Isomeric Smiles: | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N |
Molecular Weight: | 774.2 |
Molecular Formula: | C29H20ClN7O11S3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Reactive Blue 2
Molecular Weight: | 774.2 |
Molecular Formula: | C29H20ClN7O11S3 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 18 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 51 |
Complexity: | 1640 |
Synonyms
Reactive Blue 2
| Reactive Blue 2 | Reactive Blue 2 |
|---|---|
Reactive Blue 2 |
12236-82-7 |
Affi gel blue |
Cibacron Blue 3G |
Procion Blue H-B |
Cibacronblau F3G-A |
UNII-J0A052J6QF |
CHEBI:34946 |
J0A052J6QF |
1-Amino-4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid |
1-amino-4-4-4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-ylamino-3-sulfoanilino-9,10-dioxoanthracene-2-sulfonic acid |
Reactive Blue-2 |
C.I. Reactive Blue 2 |
EINECS 235-465-0 |
NSC 328383 |
C.I. 61211 |
GTPL1739 |
SCHEMBL1638291 |
CHEMBL1160031 |
DTXSID50924141 |
ZINC8295160 |
BDBM50179359 |
Reactive blue 2 (C.I. 61211) |
1-Amino-4-((4-((4-chloro-6-((3(or4)-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid |
1-Amino-4-((4-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid |
2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo- |
2-Anthraquinonesulfonic acid, 1-amino-4-(4-((4-chloro-6-m-sulfoanilino-S-triazin-2-yl)amino)-3-sulfoanilino)- |
79241-87-5 |
T654 |
FT-0699643 |
FT-0699654 |
A891141 |
L000507 |
Q16856203 |
UNII-5DV0L8V99J component JQYMGXZJTCOARG-UHFFFAOYSA-N |
1-amino-4-(4-(4-chloro-6-(3-sulfophenylamino)-1,3,5-triazin-2-ylamino)-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
1-AMINO-4-4-4-CHLORO-6-(3-SULFOPHENYL)AMINO-1,3,5-TRIAZIN-2-YLAMINO-3-SULFO-PHENYLAMINO-9,10-DIOXO-ANTHRACENE-2-SULFONIC ACID |
1-amino-4-4-4-chloro-6-(3-sulfophenyl)amino-1,3,5-triazin-2-ylamino-3-sulfophenylamino-9,10-dioxoanthracene-2-sulfonic acid |
1-amino-4-4-4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-ylamino-3-sulfo-anilino-9,10-dioxo-anthracene-2-sulfonic acid |
2-Anthracenesulfonic acid, 1-amino-4-(4-((4-chloro-6-(sulfoanilino)-s-triazin-2-yl)amino)-3-sulfoanilino)-9,10-dihydro-9,10-dioxo- (8CI) |
Experimental Data
Reactive Blue 2
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 1 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Reactive Blue 2
Statistics Data
Reactive Blue 2
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 | 1 |
Statistics Data Visualization
Reactive Blue 2
