Coclaurine structure

Coclaurine

(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

Also Known As: Coclaurine|(S)-Coclaurine|Machiline|Coclaurin|(-)-Coclaurine|(RS)-coclaurine|1(R)-coclaurine|(+)-Coclaurine|L-COCLAURINE|COCLAURINE [MI]|coclaurine, (R)-isomer|coclaurine, (+-)-isomer|(+-)-COCLAURINE|KST-1A5786|KST-1A5787|HY-N3610|NP0468|TN1519|FS-9925|(1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|4CN-1541

CAS: 5444-48-4
Molecular Formula C17H19NO3
Molecular Weight 285.1365 g/mol
LogP 2.6
Topological Polar Surface Area 61.7 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 285.1365
Monoisotopic Mass 285.1365
Heavy Atoms 21
Complexity 330.0

Chemical Identifiers

CAS Number 5444-48-4
SMILES COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
InChIKey LVVKXRQZSRUVPY-HNNXBMFYSA-N

Product Overview

Coclaurine (CAS 5444-48-4), with molecular formula C17H19NO3 and molecular weight 285.1365 g/mol. IUPAC: (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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