Tacrine
PubChem CID: 1935
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| Compound Synonyms | Tacrine, 321-64-2, 1,2,3,4-tetrahydroacridin-9-amine, 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE, Tetrahydroaminacrine, Tetrahydroaminoacridine, Tetrahydroaminocrin, Tetrahydroaminocrine, Cognex, 9-amino-1,2,3,4-tetrahydroacridine, Tacrina, Tacrinal, Tacrinum, Tenakrin, 9-Acridinamine, 1,2,3,4-tetrahydro-, Tacrine [INN:BAN], Tacrinum [INN-Latin], Tacrina [INN-Spanish], CS 12602, 1,2,3,4-Tetrahydro-9-aminoacridine, Tacrinal (TN), Tacrine (INN), EINECS 206-291-2, UNII-4VX7YNB537, 5-Amino-6,7,8,9-tetrahydroacridine, 5-Amino-6,7,8,9-tetrahydroacridine (European), BRN 0147610, 4VX7YNB537, DTXSID1037272, CHEBI:45980, Acridine, 1,2,3,4-tetrahydro-9-amino-, TACRINE [VANDF], TACRINE [INN], CHEMBL95, TACRINE [MI], MFCD00046923, TACRINE [WHO-DD], Cognex (TN), DTXCID9017272, tacrine.HCl, NCGC00015054-06, Tacrinum (INN-Latin), Acridine, 9-amino-1,2,3,4-tetrahydro-, Tacrina (INN-Spanish), 1,2,3,4-Tetrahydroaminoacridine, CAS-321-64-2, 1,2,3,4-Tetrahydro-acridin-9-ylamine, Tracine, Tacrin, Talem, 1acj, 2aow, 2aox, 1,2,3,4-Tetrahydro-9-acridineamine, Romotal (Salt/Mix), Spectrum_000416, Tocris-0965, 1mx1, Prestwick0_000329, Prestwick1_000329, Prestwick2_000329, Prestwick3_000329, Spectrum2_001812, Spectrum3_001709, Spectrum4_000819, Spectrum5_001402, Lopac-A-3773, 9-Acridinamine, 1,2,3,4-tetrahydro-(9CI), 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, KBio1_000936, KBio2_000896, KBio2_003464, KBio2_006032, KBio3_002518, N06DA01, NINDS_000936, HMS2089F19, HMS3743C11, AAA32164, BCP03564, Tox21_110073, Tox21_302277, PDSP1_000330, PDSP2_000328, STK101308, AKOS000277493, Tox21_110073_1, AB89727, BCP9000019, 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, 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, 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, 206-291-2, 693-573-7 |
|---|---|
| Topological Polar Surface Area | 38.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22303, P06276, P05177, P08183 |
| Iupac Name | 1,2,3,4-tetrahydroacridin-9-amine |
| Prediction Hob | 0.0 |
| Class | Quinolines and derivatives |
| Target Id | NPT439, NPT204, NPT228, NPT263, NPT6226, NPT208, NPT1540, NPT613, NPT4037, NPT78, NPT109, NPT1028, NPT262 |
| Xlogp | 2.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Molecular Formula | C13H14N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLJREFDVOIBQDA-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.967 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.534 |
| Synonyms | 1,2,3,4-Tetrahydro-9-acridinamine, 1,2,3,4-Tetrahydro-9-aminoacridine, 5-Amino-6,7,8,9-tetrahydroacridine, 9-Amino-1,2,3,4-tetrahydroacridine, Tetrahydroaminacrine, Tacrinal, Tetrahydroaminoacridine, Tetrahydroaminocrin, Tetrahydroaminocrine, THA, 1,2,3,4-Tetrahydroaminoacridine, Horizon brand OF tacrine hydrochloride, OTL pharm brand OF tacrine hydrochloride, Parke davis brand OF tacrine hydrochloride, Tenakrin, Romotal, Cognex, Tacrine hydrochloride, Woods brand OF tacrine hydrochloride |
| Compound Name | Tacrine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.196001133333333 |
| 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) |
| Smiles | C1CCC2=NC3=CC=CC=C3C(=C2C1)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Acridines |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Selaginella Moellendorffii (Plant) Rel Props:Source_db:cmaup_ingredients