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Lycorine methiodide

CAT: 0013-GTR19223313-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223313-02Size:500 mg
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Description
Lycorine methiodide is a bioactive alkaloid derivative used in biochemical research. It serves as a tool compound for in vitro studies exploring mechanisms of cell proliferation and apoptosis, and has been investigated in vivo for its potential pharmacological effects.
CAS Number
15069-99-5
Smiles
C[N+]12[C@]3 ([C@] (C=4C (C1) =CC5=C (C4) OCO5) ([C@H] (O) [C@@H] (O) C=C3CC2) [H]) [H].[I-]
Molecular Formula
C17H20INO4
Molecular Weight
429.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lycorine methiodide
CAS Number15069-99-5
PubChem CID44659631
IUPAC Name(1S,17S,18S,19S)-12-methyl-5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol iodide
Molecular FormulaC17H20INO4
Molecular Weight429.25
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity523
SMILES
C[N+]12CCC3=C[C@@H]([C@H]([C@H]([C@@H]31)C4=CC5=C(C=C4C2)OCO5)O)O.[I-]
InChI
InChI=1S/C17H20NO4.HI/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18;/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3;1H/q+1;/p-1/t12-,15-,16+,17+,18?;/m0./s1
InChIKey
QWPJQWHIXCZTRG-XUPBFBPUSA-M
Chemical Structure
2D Structure
2D structure of Lycorine methiodide
CAS: 15069-99-5
CID: 44659631
Formula: C17H20INO4
MW: 429.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.25
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass429.04371
Monoisotopic Mass429.04371
Topological Polar Surface Area58.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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