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Bilirubin
Description
Bilirubin, with the molecular formula C33H36N4O6, is an organic compound. It may have applications in biochemical and pharmaceutical research.
Basic Information
CAS Number: | 635-65-4 |
Formula: | C33H36N4O6 |
Molecular Weight: | 584.66 |
Specifications & Purity: | 98% |
MDL number: | MFCD00005499 |
EC Number: | 211-239-7 |
IUPAC Name: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2, 5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2, 5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid |
INCHI: | InChI=1S/C33H36N4O6/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/h7-8, 13-14, 34-35H, 1-2, 9-12, 15H2, 3-6H3, (H, 36, 43)(H, 37, 42)(H, 38, 39)(H, 40, 41)/b26-13-, 27-14- |
InChi Key: | BPYKTIZUTYGOLE-IFADSCNNSA-N |
Canonical Smiles: | CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C |
Beilstein: | 74376 |
Melt Point (°C): | 192°C |
Boil Point (°C): | 925.16°C/760 mmHg |
Storage Temp: | Store at -20°C, Argon charged |
Shipped In: | Dry ice |
Product Properties
Solubility: | soluble in chloroform (10 mg/ml), benzene, chlorobenzene, carbon disulfide, alkaline solutions, aqueous acid, ethanol (slightly), and ether (slightly). insoluble in water. |
Refractive Index: | 1.72 |
Database
PubChem CID: | 5280352 |
ChEBI: | 16990 |
ChEMBL Ligand: | CHEMBL501680 |
RCSB PDB Ligand: | BLR |
Safety and Hazards (GHS)
Merck Index: | 1218 |
Personal Protective Equipment: | Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter |
Rtecs: | DU3038000 |
WGK Germany: | 2 |
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