Epinephrine hydrochloride | SBID = 1163 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 8
PubChem TPSA/Å2: 72.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 5.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3:
Sum Formula: C9H14ClNO3
M / g/mol: 219.66
Complexity: 154.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, drug, typical guest
  • Name: Epinephrine hydrochloride
  • Preferred Abbreviation: Adrenaline hydrochloride
  • IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
  • CAS: 55-31-2
  • CID: 441411
  • InChiKey: ATADHKWKHYVBTJ-FVGYRXGTSA-N
  • InChi: InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1
  • CanoSmiles: CNCC(C1=CC(=C(C=C1)O)O)O.Cl
  • IsoSmiles: CNC[C@@H](C1=CC(=C(C=C1)O)O)O.Cl