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Hydrastine

CAT: 1410-M23349-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M23349-04Size:10 mg
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Description
Hydrastine is a natural alkaloid that is present in Hydrastis Canadensis.
CAS Number
118-08-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
383.39
Molecular Formula
C21H20NO6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(-)-Hydrastine

Hydrastine is a natural product found in Hydrastis canadensis. It has a role as a metabolite.

CAS Number118-08-1
PubChem CID197835
IUPAC Name(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Molecular FormulaC21H21NO6
Molecular Weight383.4
XLogP2.7
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
InChI
InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChIKey
JZUTXVTYJDCMDU-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of (-)-Hydrastine
CAS: 118-08-1
CID: 197835
Formula: C21H21NO6
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass383.13688739
Monoisotopic Mass383.13688739
Topological Polar Surface Area66.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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