N-Methyl-4-methyldiphenhydramine
Basic information
- CAS
116169-73-4- Standard SMILES
Cc1ccc(C(OCC[N+](C)(C)C)c2ccccc2)cc1.[I-]- InChIKey
OGMLFMFQMCOJPL-UHFFFAOYSA-M- Molecular formula
- C19H26INO
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 411.10591
Overview
quaternary radioligand for histamine H1-receptor; structure given in first source
Names & identifiers
- Preferred name
- N-Methyl-4-methyldiphenhydramine
- IUPAC
- trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium iodide
- English name
- N-methyl-4-methyldiphenhydramine
- Molecular formula
- C19H26INO
- Molecular weight
- 411.32031
Names & synonyms
116169-73-4N-Methyl-4-methyldiphenhydramineEthanaminium, N,N,N-trimethyl-2-((4-methylphenyl)phenylmethoxy)-, iodide, (+)-Ethanaminium, N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)-RefChem:163711QMDPtrimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium;iodideSCHEMBL29375153DTXSID30921951N,N,N-Trimethyl-2-[(4-methylphenyl)(phenyl)methoxy]ethan-1-aminium iodide
Database identifiers
- CAS
116169-73-4- PubChem CID
- 2830867
- DTXSID
DTXSID30921951
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 282
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Related reactions
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Compound notes
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