Coclaurine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0468
CAS
486-39-5
Product Name
Coclaurine
Structure

Product Details

Description
Coclaurine is isolated from the root of Coptis chinensis Franch.
Synonyms
(1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
IUPAC Name
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular Weight
285.3
Molecular Formula
C17H19NO3
Canonical SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1
InChIKey
LVVKXRQZSRUVPY-HNNXBMFYSA-N
Boiling Point
427.77°C (rough estimate)
Melting Point
220-221°C
Purity
98%
Density
1.0864 g/cm3(rough estimate)
Appearance
Powder
Application
anti-HIV; hypotensive;
Color
Dark yellow
Definition
ChEBI: The (S)-enantiomer of coclaurine.
Form
Solid
pKa
10.00±0.15(Predicted)
Refractive Index
1.5400 (estimate)
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