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(-) -Coclaurine hydrochloride

CAT: 1410-M29120-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M29120-01Size:5 mg
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Description
(-) -Coclaurine hydrochloride is an antagonist of nAChRs isolated from Sarcopetalum harveyanum.
CAS Number
3422-42-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
321.8
Molecular Formula
C17H20ClNO3
Notes
Research use only, not for human use.
Receptor
AChR

Chemical Information

(-)-Coclaurine Hydrochloride
CAS Number3422-42-2
PubChem CID131667582
IUPAC Name(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
Molecular FormulaC17H20ClNO3
Molecular Weight321.8
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity330
SMILES
COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O.Cl
InChI
InChI=1S/C17H19NO3.ClH/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;1H/t15-;/m0./s1
InChIKey
VDUZDGFETHGVJK-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of (-)-Coclaurine Hydrochloride
CAS: 3422-42-2
CID: 131667582
Formula: C17H20ClNO3
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass321.1131712
Monoisotopic Mass321.1131712
Topological Polar Surface Area61.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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