Motexafin lutetium hydrateProduct ingredient for Motexafin lutetium
- Name
- Motexafin lutetium hydrate
- Drug Entry
- Motexafin lutetium
Motexafin lutetium (MLu) is a second-generation photosensitizer for photodynamic therapy (PDT) of cancer. It belongs to the family of drugs called metallotexaphyrins. Also called lutetium texaphyrin. Motexafin lutetium is a pentadentate aromatic metallotexaphyrin with photosensitizing properties.
- Accession Number
- DBSALT002633
- Structure
Structure for Motexafin lutetium hydrate (DBSALT002633)
- Synonyms
- Lutetium texaphyrin / Motexafin lutetium
- External IDs
- FP-LP1 / NSC-695239 / PCI-0123
- UNII
- 0A85BJ22L6
- CAS Number
- 156436-90-7
- Weight
- Average: 1184.151
Monoisotopic: 1183.45892 - Chemical Formula
- C52H74LuN5O15
- InChI Key
- WIQKYZYFTAEWBF-IOYKFIIZSA-L
- InChI
- InChI=1S/C48H66N5O10.2C2H4O2.Lu.H2O/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);;1H2/q-1;;;+3;/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;;
- IUPAC Name
- lutetium(3+) 4,5-diethyl-9,24-bis(3-hydroxypropyl)-16,17-bis({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.1^{3,6}.1^{8,11}.0^{14,19}]heptacosa-1,3,5,7,9,11(26),12,14,16,18,20,22(25),23-tridecaen-27-ide diacetate hydrate
- SMILES
- O.[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC
- External Links
- ChemSpider
- 2339408
- Predicted Properties
Property Value Source Water Solubility 0.00532 mg/mL ALOGPS logP 4.99 ALOGPS logP 6.76 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 15.62 Chemaxon pKa (Strongest Basic) 2.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 178.75 Å2 Chemaxon Rotatable Bond Count 28 Chemaxon Refractivity 243.08 m3·mol-1 Chemaxon Polarizability 106.08 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon