Products for Research Use Only

N-Methylcoclaurine

CAT: 0013-GTR19260027-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19260027-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(±) -N-Methylcoclaurine is a selective α2-adrenoceptor antagonist.
CAS Number
1472-62-4
Purity
>98% (HPLC)
Molecular Formula
C18H21NO3
Molecular Weight
299.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Methyl Coclaurine

N-Methylcoclaurine has been reported in Stephania tetrandra, Berberis iliensis, and other organisms with data available.

CAS Number1472-62-4
PubChem CID2752274
IUPAC Name1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular FormulaC18H21NO3
Molecular Weight299.4
XLogP3
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3
InChIKey
BOKVLBSSPUTWLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Coclaurine
CAS: 1472-62-4
CID: 2752274
Formula: C18H21NO3
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass299.15214353
Monoisotopic Mass299.15214353
Topological Polar Surface Area52.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes