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Terestigmine

CAT: 0013-GTR19209505-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209505-02Size:50 mg
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Description
Terestigmine is a small molecule acetylcholinesterase inhibitor used in neuroscience research. It is applied in vitro and in vivo to study cholinergic signaling, cognitive function, and potential therapeutic strategies for neurodegenerative conditions.
CAS Number
147650-57-5
Smiles
C[C@]12C=3C (N (C) [C@]1 (ON (C) CC2) [H]) =CC=C (OC (NCCCCCCC) =O) C3
Molecular Formula
C21H33N3O3
Molecular Weight
375.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Terestigmine

Terestigmine is a member of indoles.

CAS Number147650-57-5
PubChem CID177851
IUPAC Name[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate
Molecular FormulaC21H33N3O3
Molecular Weight375.5
XLogP3.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity503
SMILES
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN(O3)C)C)C
InChI
InChI=1S/C21H33N3O3/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)/t19-,21-/m0/s1
InChIKey
AFVACNVFXZVAEU-FPOVZHCZSA-N
Chemical Structure
2D Structure
2D structure of Terestigmine
CAS: 147650-57-5
CID: 177851
Formula: C21H33N3O3
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass375.25219192
Monoisotopic Mass375.25219192
Topological Polar Surface Area54 Ų
Heavy Atom Count27
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70571-01Terestigmine

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