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Hexaminolevulinate hydrochloride

CAT: 0957-E0160Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0160Size:25 mg
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Description
Hexaminolevulinate hydrochloride (5-Aminolevulinic acid hexyl ester hydrochloride) is a tumour photosensitizer.
CAS Number
140898-91-5
Synonyms
5-Aminolevulinic acid hexyl ester hydrochloride
Target
Others
Activity
Others
Molecular Formula
C11H21NO3.ClH
Storage Conditions
3 years -20°C powder

Chemical Information

Hexaminolevulinate Hydrochloride

Hexaminolevulinate Hydrochloride is the hydrochloride salt form of hexaminolevulinate, a hexyl ester of the heme precursor 5-aminolevulinic acid (ALA) with potential photosensitizing activity. Hexaminolevulinate serves as a precursor of photoactive porphyrins (PAPs), particularly protoporphyrin IX (PpIX), which selectively accumulate in rapidly proliferating cells, such as those seen in tumor tissue. When exposed to blue light, PAPs are activated and emit red light thereby allowing tumor imaging.

CAS Number140898-91-5
PubChem CID6433082
IUPAC Namehexyl 5-amino-4-oxopentanoate;hydrochloride
Molecular FormulaC11H22ClNO3
Molecular Weight251.75
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity192
SMILES
CCCCCCOC(=O)CCC(=O)CN.Cl
InChI
InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
InChIKey
LZYXPFZBAZTOCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexaminolevulinate Hydrochloride
CAS: 140898-91-5
CID: 6433082
Formula: C11H22ClNO3
MW: 251.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.75
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass251.1288213
Monoisotopic Mass251.1288213
Topological Polar Surface Area69.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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