Homotropine
PubChem CID: 3623
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| Compound Synonyms | HOMATROPINE, Homotropine, NSC60600, Homatropin, Homoatropine, Mandelytropeine, Mandelyltropeine, 87-00-3, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate, Mandelic acid, 3d-tropanyl ester, 114173-36-3, Benzeneacetic acid, .alpha.-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-, NSC-60600, Tropine, mandelate, (.+/-.)-Homatropine, Lopac0_000592, SCHEMBL23970, CHEMBL1237117, BDBM82370, DTXSID60858968, ZTVIKZXZYLEVOL-UHFFFAOYSA-N, NSC_5821, STK693930, AKOS005605558, CCG-204681, SDCCGSBI-0050574.P003, CAS_87-00-3, NCGC00015489-02, NCGC00015489-03, NCGC00015489-06, NCGC00162198-01, NCI60_004650, DB-056963, NS00127348, AP-163/40806836, L000927, SR-01000075900-6, 1.alpha.H,5.alpha.H-Tropan-3-.alpha.-ol, mandelate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl hydroxy(phenyl)acetate, 3.alpha.-Hydroxy-1.alpha.H,5.alpha.H-tropanium mandelate (ester), 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate #, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96KQ7, O89049, P39748 |
| Iupac Name | (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZTVIKZXZYLEVOL-UHFFFAOYSA-N |
| Fcsp3 | 0.5625 |
| Logs | -1.604 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.151 |
| Compound Name | Homotropine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 275.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 275.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7210575999999995 |
| Inchi | InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3 |
| Smiles | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all