ACDB Search

Compound Summary

Indigo carmine

Compound Information

Indigo carmine

Compound Name:	Indigo carmine
Compound CID:	2723854
Synonyms:	Indigo carmine 860-22-0 Acid Blue 74 Indigotindisulfonate sodium indigocarmine More...
Iupac Name:	disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
InChI:	InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey:	JFVXEJADITYJHK-UHFFFAOYSA-L
Canonical Smiles:	C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
Isomeric Smiles:	C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
Molecular Weight:	466.4
Molecular Formula:	C16H8N2Na2O8S2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Indigo carmine

Molecular Weight:	466.4
Molecular Formula:	C16H8N2Na2O8S2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	1
Heavy Atom Count:	30
Complexity:	877

Synonyms

Indigo carmine

Indigo carmine	Indigo carmine
Indigo carmine	860-22-0
Acid Blue 74	Indigotindisulfonate sodium
indigocarmine	C.I. ACID BLUE 74
Sodium 3,3-dioxo-2,2-biindolinylidene-5,5-disulfonate	Indigocarmin
Indigotine	FD&C Blue No. 2
Food Blue No. 2	FD and C Blue No. 2
Sachsischblau	Murabba
Amacid Brilliant Blue	Indigotine Lake
Indigo Extract	Indocarmine F
Soluble Indigo	Disodium 5,5-disulfoindigo
Indigotine B	Indigotine I
Indigotine N	Intense Blue
Indigotin I	Indigotine IA
C.I. Food Blue 1	Cilefa Blue R
Indigo Carmine A	Indigo Carmine X
C.I. Natural Blue 2	Grape Blue A
Airedale Blue IN	Acid Blue W
Sodium indigo-5,5-bisulfonate	Sodium indigotindisulfonate
HD Indigo Carmine	Indigo Carmine AC
Indigo Carmine BP	Food Blue 2
Indigotine Blue LZ	Atul Indigo Carmine
Bucacid indigotine B	Grape Blue A Geigy
Maple Indigo Carmine	Edicol Supra Blue X
Indigo Carmine Powder	Mitsui Indigo Carmine
Aniline Carmine powder	Acid Leather Blue IC
Dolkwal Indigo Carmine	San-ei Indigo Carmine
Usacert Blue No. 2	Hexacert Blue No. 2
Canacert Indigo Carmine	Indigotine disodium salt
UNII-D3741U8K7L	Indigotine Conc. Powder
Indigotine Extra Pure A	Sumitomo Wool Blue SBC
Disodium indigo-5,5-disulfonate	HD Indigo Carmine Supra
Sodium 5,5-indigotindisulfonate	CI 73015
Food Blue 1:1	A.F. Blue No. 2
Indigo Carmine Conc. FQ	Indigo-5,5-disulfonic acid disodium salt
1311 Blue	C.I. Food Blue 1, disodium salt
FD & C blue no. 2	C.I. 73015
C.I. 75781	Disodium 5,5-indigotin disulfonate
E 132	L Blue Z 5010
12070 Blue	Indigotin-5,5-disulfonic acid disodium salt
Hexacol Indigo Carmine Supra	Indigo Carmine Disodium Salt
Pigment Blue 63	Carmine Blue (biological stain)
Indigo Carmine (Biological Stain)	1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt
CHEBI:31695	Disodium 3,3-dioxo-(delta2,2-biindoline)-5,5-disulfonate
Indigo disulfonate (Biological Stain)	Indigotindisulfonate sodium USP
D3741U8K7L	Indigo Carmine (C.I. 73015)
Disodium salt of 1-indigotin-S,S-disulfonic acid	DSSTox_CID_190
Soluble Indigo Blue	16521-38-3
DSSTox_RID_75423	DSSTox_GSID_20190
Indigotindisulfonate sodium (USP)	L-Blau 2 German
Indigo-karmin German	Indigo-karmin
Modr Kysela 74 Czech	disodium (2E)-3,3-dioxo-1,1,3,3-tetrahydro-2,2-biindole-5,5-disulfonate
Modr Pigment 63 Czech	Modr Pigment 63
1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)	CAS-860-22-0
Modr Kysela 74	Modr Potravinarska 1 Czech
CCRIS 1865	Modr Potravinarska 1
MFCD00005723	Schultz Nr. 1309 German
L-Blau 2	Schultz Nr. 1309
NCGC00187606-01	NSC 8646
Dinatrium indigolin-5,5-disulfonat	EINECS 212-728-8
FD &C Blue No. 2	AI3-09087
Airdale blue IN	HSDB 7875
Natural blue 2	disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate
Indigotine Conc. Powder; Indigotine Extra Pure A	Disodium salt of 1-indigotin-S,S-disulphonic acid
AF blue no. 2	Disodium 5,5-(2-(1,3-dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulphonate
Indigo carmine (TN)	Indigocarmine (JP17)
Dinatrium 3,3-dioxo-(delta2,2-biindolin)-5,5-disulfonat"	Disodium 3,3-dioxo-(delta(sup 2,2)-biindoline)-5,5-disulfonate
C.I.FOOD BLUE 1	(delta2,2-Biindoline)-5,5-disulfonic acid, 3,3-dioxo-, disodium salt
Sodium indigotin disulfonate	SCHEMBL40486
Disodium 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonate	C16H8N2Na2O8S2
SCHEMBL118376	C16H8N2O8S2.2Na
5,5-Indigotin disulfonic acid	CHEMBL2105023
DTXSID1020190	Indigo carmine, p.a., 80.0%
Indigo carmine, analytical standard	AMY22391
Tox21_113456	Tox21_302732
AKOS015902370	AKOS016011136
disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate	CCG-269417
(delta(sup 2,2)-Biindoline)-5,5-disulfonic acid, 3,3-dioxo-, disodium salt	NCGC00256411-01
2-(1,3-Dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid, disodium salt	disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonate
M573	T604
DB-056895	F0148
FT-0627198	I0214
ST51007287	Indigo carmine, SAJ first grade, >=90.0%
D01563	H11268
Indigo carmine, JIS special grade, >=97.5%	Indigotine 100 microg/mL in Acetonitrile:Water
Q410120	UNII-L06K8R7DQK component KHLVKKOJDHCJMG-QDBORUFSSA-L
3,3-Dioxo-(delta2,2-biindoline)-5,5-disulfonic acid disodium salt	Indigo carmine, for microscopy (Bact., Hist.), indicator (pH 11.5-14.0)
(delta2,2-Biindoline)-5,5-disulfonic acid, 3,3-dioxo-, disodium salt (8CI)	Indigo carmine, certified by the Biological Stain Commission, Dye content 85 %
Indigotindisulfonate sodium, United States Pharmacopeia (USP) Reference Standard	2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-1h-indole-5-sulfonic acid disodium salt
3-oxo-2-(3-oxo-5-sulfo(1H-benzodazolin-2-ylidene))-1H-benzodazoline-5-sulf onic acid, sodium salt, sodium salt

Experimental Data

Indigo carmine

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Significant	PubMed	Avg/Med Lifespan Change tab
Drosophila melanogaster	0.002500000000000	mg/mL	58.430000000000000	61.180000000000000	0.050000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.025000000000000	mg/mL	58.430000000000000	57.070000000000000	-0.020000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.000025000000000	mg/mL	58.430000000000000	57.790000000000000	-0.010000000000000	NS	31137639	Inactive
Drosophila melanogaster	2.500000000000000	mg/mL	58.430000000000000	57.570000000000000	-0.010000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.000250000000000	mg/mL	58.430000000000000	61.550000000000000	0.050000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.250000000000000	mg/mL	58.430000000000000	52.020000000000000	-0.110000000000000	NS	31137639	Inactive

Experimental Data Visualization

Indigo carmine

Statistics Data

Indigo carmine

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Drosophila melanogaster	0.050000000000000		1	6

Statistics Data Visualization

Indigo carmine

Compound Name:

Indigo carmine

Compound CID:

2723854

Synonyms:

Indigo carmine 860-22-0 Acid Blue 74 Indigotindisulfonate sodium indigocarmine More...

Iupac Name:

disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate

InChI:

InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

InChIKey:

JFVXEJADITYJHK-UHFFFAOYSA-L

Canonical Smiles:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric Smiles:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]

Molecular Weight:

466.4

Molecular Formula:

C16H8N2Na2O8S2

Molecular Weight:

466.4

Molecular Formula:

C16H8N2Na2O8S2

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

9

Rotatable Bond Count:

1

Heavy Atom Count:

30

Complexity:

877

Indigo carmine

860-22-0

Acid Blue 74

Indigotindisulfonate sodium

indigocarmine

C.I. ACID BLUE 74

Sodium 3,3-dioxo-2,2-biindolinylidene-5,5-disulfonate

Indigocarmin

Indigotine

FD&C Blue No. 2

Food Blue No. 2

FD and C Blue No. 2

Sachsischblau

Murabba

Amacid Brilliant Blue

Indigotine Lake

Indigo Extract

Indocarmine F

Soluble Indigo

Disodium 5,5-disulfoindigo

Indigotine B

Indigotine I

Indigotine N

Intense Blue

Indigotin I

Indigotine IA

C.I. Food Blue 1

Cilefa Blue R

Indigo Carmine A

Indigo Carmine X

C.I. Natural Blue 2

Grape Blue A

Airedale Blue IN

Acid Blue W

Sodium indigo-5,5-bisulfonate

Sodium indigotindisulfonate

HD Indigo Carmine

Indigo Carmine AC

Indigo Carmine BP

Food Blue 2

Indigotine Blue LZ

Atul Indigo Carmine

Bucacid indigotine B

Grape Blue A Geigy

Maple Indigo Carmine

Edicol Supra Blue X

Indigo carmine

860-22-0

Acid Blue 74

Indigotindisulfonate sodium

indigocarmine

More...