Basic information
- CAS
5965-49-1- Standard SMILES
CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1.Cl- InChIKey
HYDFAZFVKRXNJX-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Overview
See also: Ketobemidone (has active moiety).
Names & identifiers
- Preferred name
- Ketobemidone Hydrochloride
- IUPAC
- 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;hydrochloride
- English name
- ketobemidone hydrochloride
- Molecular formula
- C15H22ClNO2
- Molecular weight
- 283.79368
Names & synonyms
Ketobemidone hydrochlorideKetobemidone HCl5965-49-1U9U6LTV80KKetodurDTXSID00208327WIN-15391-(4-(3-HYDROXYPHENYL)-1-METHYL-4-PIPERIDINYL)-1-PROPANONE HYDROCHLORIDERefChem:794311DTXCID201308181-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)-, hydrochloride (1:1)227-749-8
Show more names
Benproperine Impurity 141-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-, hydrochloride
Hoechst 10720Cliradon hydrochlorideKetobimedon hydrochloride1-(4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl)propan-1-one hydrochlorideEINECS 227-749-8UNII-U9U6LTV80KKetogan (TN)1-Methyl-4-(m-hydroxyphenyl)piperidine-4-ethylketone hydrochloride
Database identifiers
- CAS
5965-49-1- PubChem CID
- 80069
- DTXSID
DTXSID00208327- UNII
- U9U6LTV80K
- EC Number
- 227-749-8
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 201 · 201-202°
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 U6LTV80K · U9U6LTV80K
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-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.
GHS classification
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (66.7%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H331
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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