pseudoephedrine
AlkaPlorer ID: AK003600
Synonym: '1(R),2(S)-erythro-(-)-Ephedrine', 'Ephedrine', '2-(Methylamino)-1-phenyl-1-propanol; (1S,2S)-form', 'Pseudoephedrine D-form', '(-)-Ephedrine', 'Psi-ephedrin', 'd-psi-Ephedrine', '2-(Methylamino)-1-phenyl-1-propanol', '(+)-threo-Ephedrine', 'Pseudoephedrine', 'L-Ephedrine', 'psi-ephedrine', 'Psi-ephedrine', '(+)-Pseudoephedrine', '(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane', 'L-erythro-2-(methylamino)-1-phenylpropan-1-ol', '(1S,2S)-(+)-Pseudoephedrine', '2-(Methylamino)-1-phenyl-1-propanol; (1R,2S)-form', 'L(-)-ephedrine', '(+)-(1S,2S)-Pseudoephedrine', 'd-psi-2-Methylamino-1-phenyl-1-propanol', 'd-Isoephedrine', 'L(+)-psi-Ephedrine', '(1S,2S)-Pseudoephedrine', '(+) threo-2-(methylamino)-1-phenyl-1-propanol', '(+)-psi-Ephedrine', 'l-ephedrine', 'L-(+)-Pseudoephedrine', 'trans-Ephedrine', '(-)-ephedrine', 'Isoephedrine', 'd-Pseudoephedrine'
IUPAC Name: (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
Structure
SMILES: CN[C@H](C)[C@H](O)C1=CC=CC=C1
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+/m1/s1
InChIKey: KWGRBVOPPLSCSI-SCZZXKLOSA-N
Reference
PubChem CID: 62946
CAS: 321-97-1
LOTUS: LTS0154241
SuperNatural Ⅲ: SN0197161-05
NPASS: NPC304761
Source
Properties Information
Molecule Weight: 165.236
TPSA？: 32.26
MolLogP？: 1.3279
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aryl sulfotransferase | Km | 11000000.0 | nM | 10.1021/jm010481c |
| Rattus norvegicus | Aryl sulfotransferase | Ratio | 0.1 | None | 10.1021/jm010481c |
| Rattus norvegicus | Aryl sulfotransferase | Vmax | 40.4 | nM min-1 | 10.1021/jm010481c |
| None | Unchecked | Potency | 15848.9 | nM | None |
| None | Unchecked | Potency | 22387.2 | nM | None |