Basic information
- CAS
63269-31-8- Standard SMILES
CN(C)[C@@H](c1cccc(O)c1)[C@H]1CCCC[C@H]1O- InChIKey
UVTLONZTPXCUPU-ZNMIVQPWSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Overview
Ciramadol is a member of cyclohexanols.
Names & identifiers
- Preferred name
- Ciramadol
- IUPAC
- 3-[(R)-dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
- English name
- Ciramadol
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.35
Names & synonyms
CIRAMADOL63269-31-8CiramadolumWy-15705Wy-15,7059NQ109OW0GDTXSID601018412RefChem:918674DTXCID7014765543-[(R)-dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenolCiramadol [USAN:INN]Ciramadolum [INN-Latin]
Show more names
3-[(R)-(Dimethylamino)[(1R)-2α-hydroxycyclohexan-1α-yl]methyl]phenol
UNII-9NQ109OW0GPhenol, 3-((R)-(dimethylamino)((1R,2R)-2-hydroxycyclohexyl)methyl)-Phenol, 3-[(R)-(dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl]-WY 15705CIRAMADOL [INN]CIRAMADOL [MI]Ciramadol (USAN/INN)CIRAMADOL [USAN]
Database identifiers
- CAS
63269-31-8- PubChem CID
- 44463
- DTXSID
DTXSID601018412- ChEMBL
CHEMBL2104132- ChEBI
CHEBI:135016- UNII
- 9NQ109OW0G
- Nikkaji
- J19.294E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 191 · 191-193°
- alpha
- 25 · D25 -46.92° (c = 1.061 in methanol)
- Boiling point
- 385.7 · 385.7±17.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- pka
- 9.84 · 9.84±0.10(Predicted)
- FDA UNII
- 9 NQ109OW0G · 9NQ109OW0G
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds capable of relieving pain without the loss of CONSCIOUSNESS.
Applications
UsesCiramadol is an opioid analgesic. It is a mixed agonist-antagonist for the μ-opioid receptor with relatively low abuse potential and a ceiling on respiratory depression.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Ciramadol is a member of cyclohexanols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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