Compound: Tacrine
SMILES: n1c2c(c(N)c3c1CCCC3)cccc2
InChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-N
Synonyms: Tacrine, 321-64-2, 1,2,3,4-tetrahydroacridin-9-amine, Tetrahydroaminacrine, 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE, Tetrahydroaminoacridine, Tetrahydroaminocrin, Tetrahydroaminocrine, 9-amino-1,2,3,4-tetrahydroacridine, Tacrina, Tacrinal, Tacrinum, 9-Acridinamine, 1,2,3,4-tetrahydro-, 1,2,3,4-Tetrahydro-9-aminoacridine, 5-Amino-6,7,8,9-tetrahydroacridine, 4VX7YNB537, DTXSID1037272, DTXCID9017272, CHEBI:45980, 1,2,3,4-Tetrahydroaminoacridine, RefChem:187116, N06DA01, 206-291-2, 693-573-7, Cognex, CS 12602, MFCD00046923, Tacrine (INN), Acridine, 1,2,3,4-tetrahydro-9-amino-, CHEMBL95, tacrine.HCl, NCGC00015054-06, Acridine, 9-amino-1,2,3,4-tetrahydro-, TACRINE [INN], Tacrine [INN:BAN], Tacrinum [INN-Latin], Tacrina [INN-Spanish], 5,6,7,8-tetrahydroacridine-9-ylamine, Tacrinal (TN), CAS-321-64-2, EINECS 206-291-2, 5-Amino-6,7,8,9-tetrahydroacridine (European), BRN 0147610, UNII-4VX7YNB537, 1,2,3,4-Tetrahydro-acridin-9-ylamine, Tracine, 1acj, 2aow, 2aox, 1,2,3,4-Tetrahydro-9-acridineamine, Romotal (Salt/Mix), Spectrum_000416, Tocris-0965, 1mx1, TACRINE [VANDF], TACRINE [MI], Prestwick0_000329, Prestwick1_000329, Prestwick2_000329, Prestwick3_000329, Spectrum2_001812, Spectrum3_001709, Spectrum4_000819, Spectrum5_001402, Lopac-A-3773, TACRINE [WHO-DD], cid_1935, SCHEMBL2828, 9-THA, NCIOpen2_003667, Lopac0_000036, Oprea1_008681, Acridine, 9-aminotetrahydro-, BSPBio_000337, BSPBio_003298, KBioGR_001337, KBioSS_000896, BIDD:GT0090, DivK1c_000936, SPBio_001823, SPBio_002258, BDBM8961, BPBio1_000371, GTPL6687, orb1306361, SCHEMBL27504775, SCHEMBL29594645, SCHEMBL29681895, KBio1_000936, KBio2_000896, KBio2_003464, KBio2_006032, KBio3_002518, NINDS_000936, HMS2089F19, HMS3743C11, HMS5081L12, AAA32164, Tox21_110073, Tox21_302277, EBC-06032, PDSP1_000330, PDSP2_000328, SBB003560, STK101308, AKOS000277493, Tox21_110073_1, AB89727, CCG-204132, DB00382, SDCCGSBI-0050025.P004, 1,2,3,4-tetra -hydro-9-acridinamine, IDI1_000936, NCGC00015054-01, NCGC00015054-02, NCGC00015054-03, NCGC00015054-04, NCGC00015054-05, NCGC00015054-07, NCGC00015054-08, NCGC00015054-09, NCGC00015054-10, NCGC00015054-12, NCGC00024908-01, NCGC00024908-03, NCGC00024908-04, NCGC00024908-05, NCGC00255540-01, 1,2,3,4-tetrahydro-acridin-9-yl-amine, BS-28027, ST083243, SY138494, SBI-0050025.P003, DB-000650, HY-111338, 9-amino-1,2,3,4-tetrahydroacridine (THA), AB00053524, C-110, EU-0010966, NS00007239, T3994, EN300-02105, C01453, D08555, AB00053524-17, AB00053524_18, AB00053524_19, AE-641/00604043, F210355, Q421076, BRD-K81473089-003-03-0, BRD-K81473089-003-04-8, BRD-K81473089-003-15-4, BRD-K81473089-003-24-6, BRD-K81473089-003-25-3, BRD-K81473089-003-26-1, SR-01000075593-13, Z56790573
Theoretical properties:
molecular_formula: C13H14N2
molecular_weight: 198.26 g/mol
exact_mass: 198.115698455 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 15
topological_polar_surface_area: 38.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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+).
chebi: 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.
chembl: TACRINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Tacrine is a centrally acting acetylcholinesterase inhibitor and indirect cholinergic agonist (parasympathomimetic). It was the first centrally acting cholinesterase inhibitor approved for the treatment of Alzheimer's disease, and was marketed under the trade name Cognex. Tacrine was first synthesised by Adrien Albert at the University of Sydney in 1949. It also acts as a histamine N-methyltransferase inhibitor.