N-Methyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine hydrochloride
Basic information
- CAS
10488-36-5- Standard SMILES
C[NH2+]CCOC(c1ccccc1)c1ccccc1C.[Cl-]- InChIKey
YAXWIYFUVISXRS-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO
- Average molar mass
- 291.8 g/mol
- Monoisotopic mass
- 291.138992
Overview
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Names & identifiers
- Preferred name
- N-Methyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine hydrochloride
- IUPAC
- methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
- English name
- tofenacin hydrochloride
- Molecular formula
- C17H21NO.ClH
- Molecular weight
- 291.82
Names & synonyms
BS 7331 hydrochlorideN-Demethylorphenadrine hydrochlorideBS 7331(2-(Phenyl-o-tolylmethoxy)ethyl)methylamine hydrochlorideN-Methyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine hydrochlorideEINECS 234-011-9UNII-3A10ND4DWRNSC 113809NSC 169432N-Methylaminoethyl 2-methylbenzhydryl ether hydrochloridePhenyl-(o-tolylmethyl) methylaminoethyl ether hydrochlorideN-Methyl-2-(alpha-(2-tolylbenzyl)oxy)ethylamine hydrochloride
Show more names
ElamolTofacineOrphenadrine USP RC Ctofenacin hydrochlorideTofenacine hydrochlorideN-Desmethylorphenadrine HydrochloriOrphenadrine Related Compound C (20 mg)
AKOS015967755ETHYLAMINE, N-METHYL-2-((o-METHYL-alpha-PHENYLBENZYL)OXY)-, HYDROCHLORIDE
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 147 · 147-148℃ (ethanol ethyl ether )
- storage temp.
- 2 · 2-30°C
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Light Beige
- Major Application
- pharmaceutical
- InChI
- 1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
- InChIKey
- YAXWIYFUVISXRS-UHFFFAOYSA-N
- SMILES
- Cl.N(CCOC(c2c(cccc2)C)c1ccccc1)C
- FDA UNII
- 3 A10ND4DWR · 3A10ND4DWR
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- hs_code
- 2922190900
- Toxicity
- LD50 in mice (mg/kg): 182 orally, 82 s.c., 58 i.p., 36.5 i.v.; in rats: 72 i.p.; in guinea pigs: 92 s.c. (Funcke)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Central nervous system
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 OralSTOT SE 3
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA metabolite of Orphenadrine (O695300). An antidepressant prodrug. Ondansetron USP Related Compound C.
Upstream & downstream products
Upstream raw materials
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Compound notes
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