(-)-Ephedrine sulfate

HCID 71288

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Basic information

CAS: 134-72-5
Standard SMILES: CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O
InChIKey: XVPDSDYVNYOVMP-GNAZCLTHSA-N
Molecular formula: C10H17NO5S
Average molar mass: 263.31 g/mol
Monoisotopic mass: 263.08274382

Names & identifiers

Preferred name: (-)-Ephedrine sulfate
IUPAC: (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acid

Names & synonyms

(-)-ephedrine sulfateRefChem:39096273986-87-5Ephedrine, hydrogen sulfatealpha-(1-(Methylamino)ethyl)benzyl alcohol hydrogen sulfateEPHEDRINE HEMISULFATESCHEMBL547932CHEMBL526872DTXSID00995240Sulfuric acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)bis[[R-(R*,S*)]-beta-hydroxy-alpha-methylphenethylmethylammonium] sulphateSulfuric acid--(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/1)

Database identifiers

CAS: 134-72-5、73986-87-5
PubChem CID: 71288
DTXSID: DTXSID00995240
ChEMBL: CHEMBL526872

Properties

Computed structural properties

Topological polar surface area: 115 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 202

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