Pseudoephedrine
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CAS Number 90-82-4
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Catalog Number io-406922
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Molecular Weight 165.2300
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SMILES
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Pseudoephedrine is a member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. It has a role as a central nervous system drug, a bronchodilator agent, a sympathomimetic agent, a xenobiotic, an anti-asthmatic drug, a vasoconstrictor agent, a plant metabolite and a nasal decongestant. It is a member of phenylethanolamines, a secondary alcohol and a secondary amino compound. It is a conjugate base of a pseudoephedrine(1+).
| 1 | PSEUDOEPHEDRINE |
| 2 | d-Pseudoephedrine |
| 3 | Isoephedrine |
| 4 | trans-Ephedrine |
| 5 | d-Isoephedrine |
| Molecular Formula | C10H15NO |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 165.2300 |
| InChIKey | KWGRBVOPPLSCSI-WCBMZHEXSA-N |
| InChI | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 |
| XLogP | 0.9000 |
| ExactMass | 165.1154 |
| MonoisotopicMass | 165.1154 |
| TPSA | 32.3000 |
| Complexity | 121.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 39611 |
| PatentFamilyCount | 8764 |
| LiteratureCount | 1233 |