Benzethidine hydrobromide
Basic information
- CAS
1049728-53-1- Standard SMILES
Br.CCOC(=O)C1(c2ccccc2)CCN(CCOCc2ccccc2)CC1- InChIKey
CPEIQAXBGPGICQ-UHFFFAOYSA-N- Molecular formula
- C23H30BrNO3
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 447.14091
Names & identifiers
- Preferred name
- Benzethidine hydrobromide
- IUPAC
- ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate;hydrobromide
- English name
- Benzethidine HydrobroMide
- Molecular formula
- C23H30BrNO3
- Molecular weight
- 448.3932
Names & synonyms
Benzethidine hydrobromide1049728-53-1D86V1SX1U7UNII-D86V1SX1U7DTXSID30420898TA 284-Piperidinecarboxylic acid, 4-phenyl-1-(2-(phenylmethoxy)ethyl)-, ethyl ester, hydrobromide (1:1)1-(2-(Benzyloxy)ethyl)-4-phenylisonipecotic acid ethyl ester hydrobromideIsonipecotic acid, 1-(2-(benzyloxy)ethyl)-4-phenyl-, ethyl ester, hydrobromideRefChem:118118DTXCID40371741ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate;hydrobromide
Show more names
CPEIQAXBGPGICQ-UHFFFAOYSA-N1-(2-Benzyloxyethyl)-4-phenylpiperidine-4-carboxylic Acid Ethyl1-[2-(Benzyloxy)ethyl]-4-phenylisonipecotic Acid Ethyl Ester HYdrobroMide
Benzethidine Hydrobromide (1.0mg/ml in Acetonitrile)4-Piperidinecarboxylic acid, 4-phenyl-1-[2-(phenylmethoxy)ethyl]-, ethyl ester, hydrobromide (1:1); Benzethidine HydrobromideNIOSH/NS5266000FB181861-(2-Benzyloxyethyl)-4-phenylpiperidine-4-carboxylic Acid Ethyl Ester Hydrobromide4-Phenyl-1-[2-(phenylmethoxy)ethyl]-4-piperidinecarboxylic Acid Ethyl Ester HydrobromideNS52660000Benzethidine Hydrobromide (1 mg/mL in Acetonitrile)
Database identifiers
- CAS
1049728-53-1- PubChem CID
- 5744992
- DTXSID
DTXSID30420898- UNII
- D86V1SX1U7
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- FDA UNII
- 86 V1SX1U7 · D86V1SX1U7
Chemistry & industry
Applications
UsesBenzethidine hydrobromide is a related compound of the opioid analgesic drug Meperidine (M223900) with similar effects such as analgesia, sedation, nausea and respiratory depression.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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