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Jimscaline

CAT: 0013-GTR19250362-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250362-01Size:10 mg
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Description
Jimscaline (R- (-) 2) is a structural analog of mescaline and a selective 5-HT2A receptor agonist. It is utilized in neuroscience research to study receptor function and psychedelic pharmacology in both in vitro binding assays and in vivo behavioral models.
CAS Number
890309-57-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) C1=C2C ([C@H] (CN) CC2) =CC (OC) =C1OC
Molecular Formula
C13H19NO3
Molecular Weight
237.295
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jimscaline
CAS Number890309-57-6
PubChem CID11673493
IUPAC Name[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methanamine
Molecular FormulaC13H19NO3
Molecular Weight237.29
XLogP1.3
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity249
SMILES
COC1=C(C(=C2CC[C@H](C2=C1)CN)OC)OC
InChI
InChI=1S/C13H19NO3/c1-15-11-6-10-8(7-14)4-5-9(10)12(16-2)13(11)17-3/h6,8H,4-5,7,14H2,1-3H3/t8-/m0/s1
InChIKey
AFTIZGHFDCOQFS-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Jimscaline
CAS: 890309-57-6
CID: 11673493
Formula: C13H19NO3
MW: 237.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.29
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass237.13649347
Monoisotopic Mass237.13649347
Topological Polar Surface Area53.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-171232Jimscaline

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