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Cymserine

CAT: 0013-GTR19209467-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209467-02Size:50 mg
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Description
Cymserine is a reversible cholinesterase inhibitor structurally related to physostigmine. It exhibits moderate selectivity for butyrylcholinesterase over acetylcholinesterase, making it a useful research tool for studying cholinesterase function in models of neurodegeneration and cognitive disorders.
CAS Number
145209-39-8
Smiles
C[C@]12C=3C (N (C) [C@]1 (N (C) CC2) [H]) =CC=C (OC (NC4=CC=C (C (C) C) C=C4) =O) C3
Molecular Formula
C23H29N3O2
Molecular Weight
379.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Cymserine

butyrylcholinesterase inhibitor; structure in first source

CAS Number145209-39-8
PubChem CID9907847
IUPAC Name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
Molecular FormulaC23H29N3O2
Molecular Weight379.5
XLogP3.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity574
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
InChI
InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1
InChIKey
NKJRRVBTMYRXRB-GGAORHGYSA-N
Chemical Structure
2D Structure
2D structure of (-)-Cymserine
CAS: 145209-39-8
CID: 9907847
Formula: C23H29N3O2
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass379.22597718
Monoisotopic Mass379.22597718
Topological Polar Surface Area44.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity574
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

Alternative Products

CatalogName
T70607-01Cymserine

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