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Chemical structure of Hematoporphyrin

GC30041

Hematoporphyrin

Also listed as Hematoporphyrin (Hematoporphyrin IX)

Hematoporphyrin (Hematoporphyrin IX) is a type of photosensitizer that possesses the porphyrin macrocycle structure

ChemicalCAS14459-29-1MW598.69FormulaC34H38N4O6
CAS number
14459-29-1
Molecular weight
598.69
Formula
C34H38N4O6
Solubility
DMSO ： 150 mg/mL (250·55 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
KFKRXESVMDBTNQ-UHFFFAOYSA-N
Catalogue number
GC30041
Brand
GLPBIO
Computed properties PubChem CID 11103 · XLogP 2.1 · TPSA 172 Ų · H-bond donors 6
XLogP
2.1
TPSA
172 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
44

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

Computed descriptors from PubChem (CID 11103), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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