IUPAC name
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate
SMILES
CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1
Compound class
Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Opioids; Diphenylpropylamine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the relief of mild to moderate pain.
Common name
Dextropropoxyphene
IUPAC name
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate
SMILES
CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1
INCHI
InChI=1S/C22H29NO2/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/t18-,22+/m1/s1
FORMULA
C22H29NO2
Common name
Dextropropoxyphene
IUPAC name
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate
Molecular weight
339.471
clogP
4.657
clogS
-5.254
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00102 | methyl propanoate |
|
C(C)C(=O)OC | 0.0096 |
| FDBF01478 | benzyl formate |
|
c1(ccccc1)COC=O | 0.0014 |
| FDBF01479 | [(1R)-1-phenylethyl] formate |
|
c1(ccccc1)C(OC=O)C | 0.0003 |
| FDBF01480 | [(1S)-1-methylpropyl] formate |
|
O(C=O)C(C)CC | 0.0003 |
