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Tacrine

CAT: 0127-BUP15592-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15592-04Size:50 mg
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CAS Number
321-64-2
Synonyms
CS 12602, Tacrinum, Tetrahydroaminocrine
Purity
=98%
Smiles
Nc1c2CCCCc2nc2ccccc12

Chemical Information

Tacrine

Tacrine is a member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a member of acridines and an aromatic amine. It is a conjugate base of a tacrine(1+).

CAS Number321-64-2
PubChem CID1935
IUPAC Name1,2,3,4-tetrahydroacridin-9-amine
Molecular FormulaC13H14N2
Molecular Weight198.26
XLogP2.7
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity229
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)N
InChI
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
InChIKey
YLJREFDVOIBQDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tacrine
CAS: 321-64-2
CID: 1935
Formula: C13H14N2
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass198.115698455
Monoisotopic Mass198.115698455
Topological Polar Surface Area38.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity229
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

Alternative Products

CatalogName
BA8455-500Tacrine
256797Tacrine hydrochloride
MBS3842299-01Tacrine HCl

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