Basic information
- CAS
89771-93-7- Standard SMILES
C=CC1=C(C)C(=O)N/C1=C\c1[nH]c(Cc2[nH]c(/C=C3\NC(=O)C(C)=C3C=C)c(C)c2CCC(=O)NCCS(=O)(=O)O)c(CCC(=O)NCCS(=O)(=O)O)c1C- InChIKey
BXTIMASCUMQAFQ-VYTBREFCSA-N- Molecular formula
- C37H46N6O10S2
- Average molar mass
- 798.9 g/mol
- Monoisotopic mass
- 798.27168403
Overview
prevents the peroxyl radical-induced oxidation of phosphatidylcholine in either multimellar liposomes or miscelles
Names & identifiers
- Preferred name
- Bilirubin ditaurine
- IUPAC
- 2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
- English name
- bilirubin ditaurine
- Molecular formula
- C37H46N6O10S2
- Molecular weight
- 798.93
Names & synonyms
Bilirubin ditaurateBilirubin ditaurine89771-93-7DTXSID701043563RefChem:119808DTXCID601526079Bis(taurobilirubin)CCRIS 9346Ethanesulfonic acid, 2,2'-((2,17-diethyl-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-SCHEMBL30913169BILIRUBIN DITAURATE DISODIUMEthanesulfonic acid, 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-
Database identifiers
- CAS
89771-93-7- PubChem CID
- 6441998
- DTXSID
DTXSID701043563- ChEMBL
CHEMBL504880
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,770
Physicochemical properties
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- pka
- 1.4 · 1.40±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…