chempirical

Pseudoephedrine hydrochloride

C10H16ClNOCAS 345-78-8201.69 g/mol

Open in Covalent MOL file
NHHOHCl
AlcoholSecondary amine

Properties

Molecular formula
C10H16ClNO
Molar mass
201.69 g/mol
Exact mass
201.0920 Da
Melting point
190–191 °C
logP
1.75Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 261 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
345-78-8
SMILES
CN[C@@H](C)[C@@H](O)c1ccccc1.Cl
InChIKey
BALXUFOVQVENIU-KXNXZCPBSA-N
InChI
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αS)-
  • Pseudoephedrine, hydrochloride, (+)-
  • Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [S-(R*,R*)]-
  • Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (αS)-
  • d-[α-(1-Methylamino)ethyl]benzyl alcohol hydrochloride
  • d-Pseudoephedrine hydrochloride
  • L-(+)-Pseudoephedrine hydrochloride
  • (+)-Pseudoephedrine hydrochloride
  • 1S,2S-(+)-Pseudoephedrine hydrochloride
  • Sudafed
  • Novafed
  • (1S,2S)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride
  • CPDD 0050
  • d-(1S,2S)-Pseudoephedrine hydrochloride
  • Sinufed
  • Galpseud
  • Otrinol
  • Rhinalair
  • Symptom 2
  • NSC 106567
  • NSC 33634
  • Decongess SR

Work with Pseudoephedrine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ephedrine299-42-3Free base, diastereomer Pseudoephedrine90-82-4Free base (-)-Pseudoephedrine321-97-1Free base, enantiomer (-)-Ephedrine hydrochloride50-98-6Diastereomer (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride24221-86-1Diastereomer Dl-Ephedrine hydrochloride134-71-4Diastereomer (-)-Ephedrine sulfate134-72-5Salt, diastereomer

Similar compounds

(±)-Hydroxyephedrine365-26-462 % similar Phenylpropanolamine hydrochloride154-41-654 % similar D-(-)-Norephedrine hydrochloride3198-15-054 % similar [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-754 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-350 % similar (S,S)-(-)-Hydrobenzoin2325-10-248 % similar (R,R)-Hydrobenzoin52340-78-048 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Edrophonium chloride116-38-1 Hordenine hydrochloride6027-23-2 6-Aminothymol hydrochloride6321-11-5

Elsewhere

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