≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Mesobilirubin is a tetrapyrrole porphyrin compound and a homolog of Bilirubin , a natural product of heme catabolism and the primary pigment of bile acid. Mesobilirubin has been described in studies investigating Bilirubin as the end products of heme breakdown can be used to identify certain conditions.
| Canonical Smiles | CCC1=C(C(=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)CC)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C |
|---|---|
| IUPAC Name | 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
| InChIKey | HVHKMUMXERBUAN-IFADSCNNSA-N |
| INCHI | 1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- |
| Isomeric SMILES | CCC1=C(/C(=C/C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C |
| WGK Germany | 3 |
| Molecular Weight | 588.71 |
| Reaxy-Rn | 75112 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=75112&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrapyrroles and derivatives |
| Subclass | Bilirubins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bilirubins |
| Alternative Parents | Substituted pyrroles Dicarboxylic acids and derivatives Pyrrolines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bilirubin skeleton - Dicarboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Pyrroline - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative. |
| External Descriptors | biladienes |
| Solubility | Soluble in aqueous base, and polar organic solvents. |
|---|---|
| Refractive Index | n20D1.64 (Predicted) |
| Molecular Weight | 588.700 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 588.295 Da |
| Monoisotopic Mass | 588.295 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
I2215480