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Bilirubin (data page)

The complete data for Bilirubin

General information

Chemical formula: C₃₃H₃₆N₄O₆
Molar mass: 584.662 g·mol^-1
Systematic name:
3-[2-[(3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-
4-methyl-1H-pyrrol-2-yl]methyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)
methyl]-4-methyl-1H-pyrrol-3-yl] propanoic acid
Synonyms:
Pheophytin

Database data

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=C 4C(=C(C(=O)N4)C=C)C
InChI=1/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)/f/h36-38,40H

ATC: N/A

CAS: N/A

DrugBank: N/A

EINECS: N/A

PubChem: 250 ^[1]

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

NMR

Phase behavior

Solid properties

Liquid properties

Gas properties

Hazard properties

MSDS N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

R/S statement

R: N/A
S: N/A

RTECS number:
N/A

Chemical properties

XLogP: 1.9

pI: ?

pK_a: ?

Tautomers: 25

Hydrogen bond: donor - 6; acceptor - 8;

Pharmacological properties

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

^a PubChem 250

Categories: Chemical pathology | Pigments | Tetrapyrroles

This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Bilirubin_(data_page)". A list of authors is available in Wikipedia.

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