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68683-34-1

68683-34-1 Structure

68683-34-1 Structure
IdentificationBack Directory
[Name]

Bilirubin Conjugate (sodium salt)
[CAS]

68683-34-1
[Synonyms]

Ditaurobilirubin disodium salt
Bilirubin Conjugate (sodium salt)
Sodium dithiocarbamate bilirubin / conjugated bilirubin
disodium 2,2'-[(1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-diyl)bis[(1-oxopropane-3,1-diyl)imino]]bis[ethane-1-sulphonate]
2,2'-[(2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis[(1-oxo-3,1-propanediyl)imino]]bis(ethanesulfonic acid sodium) salt
2,2'-[[(2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline)-8,12-diyl]bis[(1-oxo-3,1-propanediyl)imino]]bis(ethanesulfonic acid sodium) salt
2,2'-[[(2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline)-8,12-diyl]bis[(1-oxo-3,1-propanediyl)imino]]bis[ethanesulfonic acid sodium] salt
disodium:2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfonatoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonate
[EINECS(EC#)]

272-072-3
[Molecular Formula]

C37H44N6Na2O10S2
[MDL Number]

MFCD00044931
[MOL File]

68683-34-1.mol
[Molecular Weight]

842.889
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 0.25 mg/ml; DMSO: 10 mg/ml; Water: 5 mg/ml
[form ]

A crystalline solid
[color ]

Orange to red
[InChIKey]

IQKDYMAMJBFOQJ-MWABKKRNSA-L
[SMILES]

C1(CCC(=O)NCCS(=O)(=O)[O-])C(C)=C(/C=C2/C(C)=C(C=C)C(=O)N/2)NC=1CC1=C(CCC(=O)NCCS(=O)(=O)[O-])C(C)=C(/C=C2/C(C=C)=C(C)C(=O)N/2)N1.[Na+].[Na+]
[EPA Substance Registry System]

Ethanesulfonic acid, 2,2'-[(2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis[(1-oxo-3,1-propanediyl)imino]]bis-, disodium salt (68683-34-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H335-H302-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Bilirubin Conjugate disodium is a ditaurate derivative of Bilirubin. Bilirubin, a major end product of heme breakdown, is an important constituent of bile[1].
[References]

[1] Eva Sticova, et al. New insights in bilirubin metabolism and their clinical implications. World J Gastroenterol. 2013 Oct 14;19(38):6398-407. DOI:10.3748/wjg.v19.i38.6398
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