Hematoporphyrin dihydrochloride
3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
Also Known As: HEMATOPORPHYRIN DIHYDROCHLORIDE|Apiabasilon|Vitamorell|Ematoporfirina|Hematoporphyrin HCl|Hematoporphyrin IX dihydrochloride|Haematoporphyrin dihydrochloride|Ematoporfirina [Italian]|HEMATOPORPHYRIN|hematoporphyrin hydrochloride|Hematoporphyrin dichydrochloride|5-Norbornene-2-acetyl|SPECTRUM700024|Hematoporphyrin (dihydrochloride)|Hematoporphyrin(dihydrochloride)|HY-B0754A|WLZ3567|9281AA|CS-5467|KS-00001F93|NCGC00095869-01|NCGC00095869-02|NCGC00095869-03
| Molecular Formula | C34H40Cl2N4O6 |
|---|---|
| Molecular Weight | 670.2325 g/mol |
| LogP | 7.47284 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.2325 |
| Monoisotopic Mass | 670.2325 |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 77800-85-2 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl |
| InChIKey | WZQQOXSHARXAID-UHFFFAOYSA-N |
Product Overview
Hematoporphyrin dihydrochloride (CAS 77800-85-2), with molecular formula C34H40Cl2N4O6 and molecular weight 670.2325 g/mol. IUPAC: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride.