Methyl aminolevulinate hydrochlorideProduct ingredient for Methyl aminolevulinate
- Name
- Methyl aminolevulinate hydrochloride
- Drug Entry
- Methyl aminolevulinate
Methyl aminolevulinate is a prodrug that is metabolised to Protoporphyrin IX (a photosensitizer) used in photodynamic therapy.
- Accession Number
- DBSALT001462
- Structure
Structure for Methyl aminolevulinate hydrochloride (DBSALT001462)
- Synonyms
- Methyl aminolevulinate HCl
- UNII
- 7S73606O1A
- CAS Number
- 79416-27-6
- Weight
- Average: 181.62
Monoisotopic: 181.050571 - Chemical Formula
- C6H12ClNO3
- InChI Key
- UJYSYPVQHFNBML-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
- IUPAC Name
- methyl 5-amino-4-oxopentanoate hydrochloride
- SMILES
- Cl.COC(=O)CCC(=O)CN
- External Links
- ChemSpider
- 138949
- ChEBI
- 60641
- ChEMBL
- CHEMBL1201093
- Wikipedia
- Methyl_aminolevulinate
- Predicted Properties
Property Value Source Water Solubility 220.0 mg/mL ALOGPS logP -1.3 ALOGPS logP -0.85 Chemaxon logS 0.18 ALOGPS pKa (Strongest Acidic) 16.12 Chemaxon pKa (Strongest Basic) 7.83 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.39 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 35.22 m3·mol-1 Chemaxon Polarizability 14.68 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon