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Molecule
Midodrine Hydrochloride
CAS: 3092-17-9 · C12H19ClN2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3092-17-9
- Molecular Formula
- C12H19ClN2O4
- Molecular Mass
- 290.75 g/mol
Identifiers
CAS Registry Number
3092-17-9
SMILES
COc1ccc(OC)c(C(O)CN=C(O)CN)c1.Cl
InChI Key
MGCQZNBCJBRZDT-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H
Names and Synonyms
- Midodrine Hydrochloride Synonym
- Acetamide, 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-, hydrochloride (1:1) Synonym
- Acetamide, 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-, monohydrochloride Synonym
- Acetamide, 2-amino-N-(β-hydroxy-2,5-dimethoxyphenethyl)-, hydrochloride Synonym
- Midodrine hydrochloride Synonym
- TS 701 Synonym
- St 1085 Synonym
- Gutron Synonym
- (±)-Midodrine hydrochloride Synonym
- (±)-Midodrin hydrochloride Synonym
- ProAmatine Synonym
- Hipertan Synonym
- Alphamine Synonym
- A 4020 Linz Synonym
- Amatine Synonym
- St. Peter 224 Synonym
- Midamine Synonym
- Metligene Synonym
- 2-Amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)acetamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.75 g/mol | CAS Common Chemistry |
| 290.74699999999996 g/mol | RDKit | |
| 290.747 g/mol | RDKit | |
| 290.744 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.371 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O=C(NCC(O)C1=CC(OC)=CC=C1OC)CN | CAS Common Chemistry |
| InChI | InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H | CAS Common Chemistry |
| InChI Key | InChIKey=MGCQZNBCJBRZDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192-193 °C | CAS Common Chemistry |
| Name | Midodrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 97.3 Ų | RDKit |
| LogP | 1.0741999999999998 | RDKit |
| 1.0742 | RDKit | |
| Molar Refractivity | 75.73900000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 290.103334768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 290.75 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
