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Harmalidine

CAT: 0013-GTR19227603-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227603-01Size:1 mg
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Description
Harmalidine is a small molecule compound utilized in life science research. It serves as a valuable tool for both in vitro biochemical assays and in vivo pharmacological studies, particularly in investigations of cellular signaling pathways and metabolic processes.
CAS Number
109794-97-0
Smiles
N1=C2C3=C (C=4C=CC (OC) =CC4N3CC2 (C) C) CC1
Molecular Formula
C16H18N2O
Molecular Weight
254.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Harmalidine

Harmalidine has been reported in Peganum harmala with data available.

CAS Number109794-97-0
PubChem CID13819666
IUPAC Name5-methoxy-10,10-dimethyl-8,12-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11-pentaene
Molecular FormulaC16H18N2O
Molecular Weight254.33
XLogP2.6
Topological Polar Surface Area26.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity417
SMILES
CC1(CN2C3=C(C=CC(=C3)OC)C4=C2C1=NCC4)C
InChI
InChI=1S/C16H18N2O/c1-16(2)9-18-13-8-10(19-3)4-5-11(13)12-6-7-17-15(16)14(12)18/h4-5,8H,6-7,9H2,1-3H3
InChIKey
CTEKBWZEYYSNFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harmalidine
CAS: 109794-97-0
CID: 13819666
Formula: C16H18N2O
MW: 254.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.33
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass254.141913202
Monoisotopic Mass254.141913202
Topological Polar Surface Area26.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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