DL-Methylephedrine hydrochlorideProduct ingredient for DL-Methylephedrine

Name
DL-Methylephedrine hydrochloride
Drug Entry
DL-Methylephedrine

Methylephedrine is a sympathomimetic amine that appears in various over-the-counter cough and cold medications throughout the world 9, 10, 11. The abuse of methylephedrine-containing medications has been reported in Japan. Methylephedrine is not legally available in the United States, but has been identified in cases of drug abuse 7.

Accession Number
DBSALT001572
Structure
Synonyms
2-dimethylamino-1-phenylpropanol hydrochloride / Methylephedrine hydrochloride / Methylephedrine hydrochloride-DL / Methylephedrine hydrochloride, (+/-)- / Methylephedrine hydrochloride, DL- / N-methylephedrine DL-form hydrochloride / N-methylephedrine hydrochloride, DL- / N,N-dimethylnorephedrine hydrochloride
UNII
99214P83XM
CAS Number
18760-80-0
Weight
Average: 215.72
Monoisotopic: 215.1076919
Chemical Formula
C11H18ClNO
InChI Key
NTCYWJCEOILKNG-ROLPUNSJSA-N
InChI
InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11-;/m0./s1
IUPAC Name
(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol hydrochloride
SMILES
Cl.C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C
KEGG Drug
D02109
KEGG Compound
C13639
ChemSpider
171537
Predicted Properties
PropertyValueSource
Water Solubility15.4 mg/mLALOGPS
logP1.73ALOGPS
logP1.7ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)13.88ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity54.98 m3·mol-1ChemAxon
Polarizability20.55 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon