dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine hydrochloride

• ChemBase ID: 104460
• Molecular Formular: C18H24ClNO
• Molecular Mass: 305.84226
• Monoisotopic Mass: 305.15464207
• SMILES: Cl.CN(C)CCOC(c1ccccc1)c1ccccc1C
• Canonical SMILES: CN(CCOC(c1ccccc1C)c1ccccc1)C.Cl
• InChI: InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
• InChIKey: UQZKYYIKWZOKKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine hydrochloride
• IUPAC Traditional name: orphenadrine hydrochloride
• Synonyms: β-Dimethylaminoethyl 2-methylbenzhydryl ether hydrochloride; o-Methyldiphenhydramine hydrochloride; N,N-Dimethyl-2-(2-methyl-α-phenylbenzyloxy)ethylamine hydrochloride; N,N-Dimethyl-2-(2-methylbenzhydryloxy)ethylamine hydrochloride; Orphenadrine hydrochloride; β-Dimethylaminoethyl 2-methylbenzhydryl ether; ORPHENADRINE HYDROCHLORIDE; β-二甲基氨基乙基-2-甲基二苯甲醚 盐酸盐; N,N-二甲基-2-(2-甲基二苯甲基氧基)乙胺 盐酸盐; 邻甲苯海明 盐酸盐; 二芬苄甲乙胺醚 盐酸盐; 邻甲苯海拉明 盐酸盐; 奥芬那君 盐酸盐

Database IDs

• CAS Number: 341-69-5
• EC Number: 206-435-4
• MDL Number: MFCD00012480
• Beilstein Number: 3745818
• PubChem SID: 24886837; 162091052
• PubChem CID: 9568

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0371032
• LogD (pH = 7.4): 2.6876686
• Log P: 4.1653285
• Molar Refractivity: 84.9682 cm^3
• Polarizability: 33.17157 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-164 °C; 163-166°C

Safety Information

• Storage Condition: 2-8°C
• RTECS: KR6300000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22; R:22
• Safety Statements: 36; S:36/37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98.0% (AT); 99%
• Empirical Formula (Hill Notation): C18H23NO · HCl

DETAILS

MP Biomedicals - 02156003

Hydrochloride

Sigma Aldrich - 75517

Biochem/physiol Actions
Muscarinic receptor antagonist; H1 histamine receptor antagonist; muscle relaxant. Orphenadrine has also been reported to inhibit the noradrenergic transporter and to block the NMDA receptor ion channel.
Packaging
5 g in glass bottle