1,2,3,4-tetrahydroacridin-9-amine hydrochloride

• ChemBase ID: 104030
• Molecular Formular: C13H15ClN2
• Molecular Mass: 234.7246
• Monoisotopic Mass: 234.09237617
• SMILES: Cl.Nc1c2CCCCc2nc2ccccc12
• Canonical SMILES: Nc1c2CCCCc2nc2c1cccc2.Cl
• InChI: InChI=1S/C13H14N2.ClH/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);1H
• InChIKey: ZUFVXZVXEJHHBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroacridin-9-amine hydrochloride
• IUPAC Traditional name: tacrine hydrochloride
• Synonyms: 1,2,3,4-Tetrahydro-9-Acridinamine Hydrochloride Dihydrate; Hydroaminacrine Dihydrate; Romotal Dihydrate; THA Dihydrate; Tacrine Hydrochloride Dihydrate; Tenakrin Dihydrate; 9-Amino-1,2,3,4-tetrahydroacridine Hydrochloride Dihydrate; Tacrine HCl; THA; 9-AMINO-1,2,3,4-TETRAHYDROACRIDINE; tacrine hydrochlorid

Database IDs

• CAS Number: 1684-40-8
• EC Number: 216-867-5
• PubChem SID: 162091404
• PubChem CID: 2723754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83008754
• LogD (pH = 7.4): 1.254769
• Log P: 2.6281447
• Molar Refractivity: 61.7381 cm^3
• Polarizability: 24.629675 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 284-286°C; 284-286°C

Safety Information

• Storage Condition: 0°C; -20°C Freezer
• RTECS: AR9532500
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• Hazard Class: 6.1
• Packing Group: II
• Australian Hazchem: 2XE
• Risk Statements: R:25
• Safety Statements: S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98%
• Salt Data: hydrochlorid

DETAILS

MP Biomedicals - 02154198

(Tacrine HCl; THA) Hydrochloride Purity: ≥98% A potent centrally acting anticholinesterase for therapy of memory deficits in patients with Alzheimer's disease. THA also selectively blocks potassium channels in the central ner

Toronto Research Chemicals - A629700

A potent centrally acting anticholinesterase, for therapy of memory deficits in patients with Alzheimers's disease. THA also selectively blocks potassium channels in the central nervous system, which results in an increased release of acetylcholine and

REFERENCES

• Harper, J., et al.: Chem. Biol., 4, 119 ( 1997), Kirkitadze, M., et al.: J. Mol. Biol., 312, 1103 (2001)
• Zhuang, Z., et al.: J. Med. Chem., 44, 1905 (2001)
• Necula, M.J., et al.: Biol. Chem., 282, 10311 (2001)