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Chemical structure of Pheophorbide a

GC44629

Pheophorbide a

Also known as 3-[(3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

Pheophorbide a is a product of chlorophyll breakdown that has been used as a photosensitizer in photodynamic therapy for the treatment of cancer

ChemicalCAS15664-29-6MW592.7FormulaC35H36N4O5
CAS number
15664-29-6
Molecular weight
592.7
Formula
C35H36N4O5
Solubility
DMF： 1 mg/ml,DMSO： 1 mg/ml,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/ml
InChIKey
RKEBXTALJSALNU-LDCXZXNSSA-N
Catalogue number
GC44629
Brand
GLPBIO
Computed properties PubChem CID 253193 · XLogP 2.7 · TPSA 133 Ų · H-bond donors 3
XLogP
2.7
TPSA
133 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
44

SMILES CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C

Computed descriptors from PubChem (CID 253193), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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