Mesoporphyrin IX
Basic information
- CAS
493-90-3- Standard SMILES
CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC- InChIKey
NCAJWYASAWUEBY-UHFFFAOYSA-N- Molecular formula
- C34H38N4O4
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.28930571
Overview
Mesoporphyrin IX is a member of the class of mesoporphyrins obtained by formal hydrogenation of the two vinyl groups in protoporphyrin.
Names & identifiers
- Preferred name
- Mesoporphyrin IX
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
- English name
- 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid
- Molecular formula
- C34H38N4O4
- Molecular weight
- 566.69
Names & synonyms
Mesoporphyrin IXMESOPORPHYRINMPIX493-90-33,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acidMesoporphyrin IX - reference standard3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acidMesoporphyrin IX dihydrochlorideMesoporphyrin IX, dihydrochloride7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid68938-72-77,12-diethyl-3,8,13,17-tetramethyl-2,18-Porphinedipropionic acid
Show more names
7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,18-dipropionic acid7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,18-dipropanoic acid3,8,13,17-Tetramethyl-7,12-diethyl-21H,23H-porphyrin-2,18-dipropanoic acid21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-
mesoprotoporphyrinEINECS 207-782-4di-HCl of mesoporphyrin IXSCHEMBL314687CHEMBL276179SCHEMBL18428593SCHEMBL29376277DTXSID10862030
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 949
Physicochemical properties
- Boiling point
- 1096.1 · 1096.1±65.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesMesoporphyrin IX is used in preparation method, application of ultrasonic deformation material.
Additional notes
DefinitionChEBI: Mesoporphyrin IX is a member of the class of mesoporphyrins obtained by formal hydrogenation of the two vinyl groups in protoporphyrin.
Related reactions
2 records
Compound notes
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