Basic information
- CAS
2784-28-3- Standard SMILES
CN[C@@H](C)[C@H](S)c1ccccc1.Cl- InChIKey
WRDBTVCAPYYJDC-GNAZCLTHSA-N- Molecular formula
- C10H16ClNS
- Average molar mass
- 217.76 g/mol
- Monoisotopic mass
- 217.0691984
Names & identifiers
- Preferred name
- Ephedrine, thio-, hydrochloride, L-erythro-
- IUPAC
- (1R,2S)-2-(methylamino)-1-phenylpropane-1-thiol;hydrochloride
Names & synonyms
S-Ephedrine hydrochloride2784-28-3Ephedrine, thio-, hydrochloride, L-erythro-1-Propanethiol, 2-(methylamino)-1-phenyl-, hydrochlorideDTXSID00182153Benzenemethanethiol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (R-(R*,S*))-RefChem:339621DTXCID10104644(1R,2S)-2-(Methylamino)-1-phenylpropane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
2784-28-3- PubChem CID
- 71294
- DTXSID
DTXSID00182153
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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