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Compound Summary

Reactive Blue 2

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			1.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

Reactive Blue 2

Statistics Data

Reactive Blue 2

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	1.000000000000000		1	1

Statistics Data Visualization

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

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

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)

Reactive Blue 2

12236-82-7

Affi gel blue

Cibacron Blue 3G

Procion Blue H-B

More...