Back to Search
Molecule
Dextropropoxyphene Hydrochloride
CAS: 1639-60-7 · C22H30ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1639-60-7
- Molecular Formula
- C22H30ClNO2
- Molecular Mass
- 375.94 g/mol
Identifiers
CAS Registry Number
1639-60-7
SMILES
CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl
InChI Key
QMQBBUPJKANITL-MYXGOWFTSA-N
InChI
InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1
Names and Synonyms
- Dextropropoxyphene Hydrochloride Synonym
- Benzeneethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-phenyl-, 1-propanoate, hydrochloride (1:1), (αS)- Synonym
- 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), hydrochloride, (2S,3R)-(+)- Synonym
- Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), hydrochloride, [S-(R*,S*)]- Synonym
- Benzeneethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), hydrochloride, (αS)- Synonym
- 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propinate (ester), hydrochloride (+)- Synonym
- Darvon hydrochloride Synonym
- Dextropropoxyphene hydrochloride Synonym
- d-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol propionate hydrochloride Synonym
- Propoxyphene hydrochloride Synonym
- α-(+)-Propoxyphene hydrochloride Synonym
- d-Propoxyphene hydrochloride Synonym
- Darvon Synonym
- α-d-Propoxyphene hydrochloride Synonym
- (+)-Propoxyphene hydrochloride Synonym
- d-Propoxyphene monohydrochloride Synonym
- α-Propoxyphene hydrochloride Synonym
- Propoxyphen hydrochloride Synonym
- Doloxen Synonym
- Erantin Synonym
- Doloxene Synonym
- Algaphan Synonym
- Propoxychel Synonym
- SK 65 Synonym
- Harmar Synonym
- Femadol Synonym
- Antalvic Synonym
- Deprancol Synonym
- Dolene Synonym
- Dolocap Synonym
- Develin Synonym
- Proxagesic Synonym
- Dextropropoxiphene Chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 375.94 g/mol | CAS Common Chemistry |
| 375.9400000000001 g/mol | RDKit | |
| 375.937 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN(C)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QMQBBUPJKANITL-MYXGOWFTSA-N | CAS Common Chemistry |
| Melting Point | 163-165 °C | CAS Common Chemistry |
| Name | Dextropropoxyphene hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 4.697300000000006 | RDKit |
| 4.6973 | RDKit | |
| Molar Refractivity | 109.61500000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4091 | RDKit |
| 0.41 | chempirical lib | |
| Exact Mass | 375.19650688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 375.94 g/mol. Edit any field — others recompute live.
