Dextromethadone hydrochlorideProduct ingredient for Dextromethadone

Show full entry for Dextromethadone
Name
Dextromethadone hydrochloride
Drug Entry
Dextromethadone

Dextromethadone is under investigation in clinical trial NCT00588640 (Study of D-Methadone in Patients With Chronic Pain).

See full entry for Dextromethadone
Accession Number
DBSALT003435
Structure
Similar Structures
Synonyms
(6S)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-ONE, HYDROCHLORIDE (1:1) / 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, HYDROCHLORIDE (1:1), (6S)- / 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, HYDROCHLORIDE, (6S)- / 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, HYDROCHLORIDE, (S)- / D-METHADONE HYDROCHLORIDE / ESMETHADONE HYDROCHLORIDE [USAN] / METHADONE HYDROCHLORIDE, (S)- / REL-1017 HYDROCHLORIDE
UNII
1Q1YXA5GYG
CAS Number
15284-15-8
Weight
Average: 345.91
Monoisotopic: 345.1859422
Chemical Formula
C21H28ClNO
InChI Key
FJQXCDYVZAHXNS-LMOVPXPDSA-N
InChI
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m0./s1
IUPAC Name
(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride
SMILES
Cl.CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
16736778
Predicted Properties
PropertyValueSource
logP5.01Chemaxon
pKa (Strongest Acidic)19.79Chemaxon
pKa (Strongest Basic)9.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area20.31 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity97.27 m3·mol-1Chemaxon
Polarizability35.91 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon