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(-)-Ephedrine Sulfate
CAS: 134-72-5 | C10H17NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-72-5
Molecular Formula:
C10H17NO5S
Molecular Mass:
263.32 g/mol
Names and Synonyms:
(-)-Ephedrine Sulfate
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αR)-, sulfate (2:1)
Ephedrine, sulfate (2:1) (salt), (-)-
Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,S*)]-, sulfate (2:1) (salt)
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αR)-, sulfate (2:1) (salt)
Ephedrine sulfate
Isofedrol
(1R,2S)-1-Phenyl-2-methylaminopropanol-1 sulfate
l-Ephedrine sulfate
(-)-Ephedrine sulfate
(-)-erythro-1-Hydroxy-2-(methylamino)-1-phenylpropane sulfate
Ephedrine sulphate
(-)-Ephedrine hemisulfate
Identifiers:
SMILES:
CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O
InChI:
InChI=1S/C10H15NO.H2O4S/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h3-8,10-12H,1-2H3;(H2,1,2,3,4)/t8-,10-;/m0./s1
Key Properties
Melting Point
245 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.32 g/mol | CAS Common Chemistry |
| 263.315 g/mol | RDKit | |
| 263.082743644 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)O.OC(C=1C=CC=CC1)C(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO.H2O4S/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h3-8,10-12H,1-2H3;(H2,1,2,3,4)/t8-,10-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XVPDSDYVNYOVMP-GNAZCLTHSA-N | CAS Common Chemistry |
| Melting Point | 245 °C (decomp) | CAS Common Chemistry |
| Name | (-)-Ephedrine sulfate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 106.86000000000001 Ų | RDKit |
| LogP | 0.6750999999999997 | RDKit |
| Molar Refractivity | 64.10090000000004 | RDKit |
