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CHF-2060

CAT: 0013-GTR19209504-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209504-02Size:50 mg
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Description
CHF-2060 is a novel small molecule inhibitor targeting acetylcholinesterase. It is a research tool for investigating cholinergic signaling in neurological studies and has been utilized in both in vitro enzyme assays and in vivo models of cognitive function.
CAS Number
147606-23-3
Smiles
Cl.[H][C@]12ON (C) CC[C@@]1 (C) c1cc (OC (=O) NCCCCCCC) ccc1N2C
Molecular Formula
C21H34ClN3O3
Molecular Weight
411.971
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate;hydrochloride
CAS Number147606-23-3
PubChem CID9844530
IUPAC Name[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate;hydrochloride
Molecular FormulaC21H34ClN3O3
Molecular Weight412.0
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity503
SMILES
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN(O3)C)C)C.Cl
InChI
InChI=1S/C21H33N3O3.ClH/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)27-19(21)24(18)4;/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25);1H/t19-,21-;/m0./s1
InChIKey
DFSOFHYDGSMRJM-RQBPZYBGSA-N
Chemical Structure
2D Structure
2D structure of [(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate;hydrochloride
CAS: 147606-23-3
CID: 9844530
Formula: C21H34ClN3O3
MW: 412.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass411.2288696
Monoisotopic Mass411.2288696
Topological Polar Surface Area54 Ų
Heavy Atom Count28
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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