21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-
Basic information
- CAS
14684-37-8- Standard SMILES
CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O- InChIKey
OBHRVMZSZIDDEK-UHFFFAOYSA-N- Molecular formula
- C33H44N4O6
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.32608514
Overview
Urobilinogen is a member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin. It has a role as a human metabolite. It is a conjugate acid of a urobilinogen(2-).
Names & identifiers
- Preferred name
- 21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-
- IUPAC
- 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
- English name
- UROBILINOGEN
- Molecular formula
- C33H44N4O6
- Molecular weight
- 592.73
Names & synonyms
UROBILINOGEN14684-37-821H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-PY8N5V3S0DDTXSID601105823CHEBI:29026RefChem:193315DTXCID201537490604-544-5i-UrobilinogenMesobilirubinogenurobilinogen IXalpha
Show more names
C05790stercobilinogen21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo- (9CI)3-(2-((3-(2-Carboxyethyl)-5-((3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl)-4-methyl-1H-pyrrol-2-yl)methyl)-5-((4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl)-4-methyl-1H-pyrrol
mesobilirubinogen IXalphaUrobilinogen, kristallinURINARY UROBILINOGEN3-(2-((3-(2-Carboxyethyl)-5-((3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl)-4-methyl-1H-pyrrol-2-yl)methyl)-5-((4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl)-4-methyl-1H-pyrrol-3-yl)propanoic acidUNII-PY8N5V3S0D3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acidSCHEMBL132233orb2943003
Database identifiers
- CAS
14684-37-8- PubChem CID
- 26818
- DTXSID
DTXSID601105823- ChEBI
CHEBI:29026- UNII
- PY8N5V3S0D
- EC Number
- 604-544-5
- Nikkaji
- J710.141D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,160
Experimental & physicochemical properties
LogP1.969
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 870.4 · 870.4±65.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.10(Predicted)
- FDA UNII
- 8 N5V3S0D · PY8N5V3S0D
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Urobilinogen is a member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin. It has a role as a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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