(-)-Ephedrinium
PubChem CID: 6922965
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| Compound Synonyms | (-)-ephedrinium, (1R,2S)-ephedrine, [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium, (-)-(1R,2S)-Ephedrine, Ephedrine,(-), Ephedrine,(+/-), (-)-erythro-Ephedrine, Pseudoephedrine,(+/-), BDBM36014, CHEBI:57295, KWGRBVOPPLSCSI-WPRPVWTQSA-O, A828380, Q27124404, (1R,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium, [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium, methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium |
|---|---|
| Topological Polar Surface Area | 36.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H16NO+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWGRBVOPPLSCSI-WPRPVWTQSA-O |
| Fcsp3 | 0.4 |
| Logs | -0.839 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.082 |
| Compound Name | (-)-Ephedrinium |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.123 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 166.123 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6286128 |
| Inchi | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH2+]C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients