Pseudoephedrine
  • CAS Number 90-82-4
  • Catalog Number io-406922
  • Molecular Weight 165.2300
  • 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
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