Ciprefadol
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Basic information
- CAS
59889-36-0- Standard SMILES
Oc1cccc([C@@]23CCCC[C@H]2CN(CC2CC2)CC3)c1- InChIKey
KFIQKMINEHFZSM-HKUYNNGSSA-N- Molecular formula
- C19H27NO
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.20926449
Overview
Ciprefadol is a small molecule drug. The usage of the INN stem '-adol/-adol-' in the name indicates that Ciprefadol is a analgesic. Ciprefadol has a monoisotopic molecular weight of 285.21 Da.
Names & identifiers
- Preferred name
- Ciprefadol
- IUPAC
- 3-[(4aR,8aR)-2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
- English name
- Ciprefadol
- Molecular formula
- C19H27NO
- Molecular weight
- 285.42
Names & synonyms
CIPREFADOLCiprefadol [INN]59889-36-0CiprefadolumUNII-L6RFK0CJ8KL6RFK0CJ8K3-[(4aR,8aR)-2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol(-)-3-(2-(Cyclopropylmethyl)-1,3,4,5,6,7,8,8aalpha-octahydro-4aabeta(2H)-isochinolyl)phenol(-)-m-(2-(Cyclopropylmethyl)-1,3,4,5,6,7,8,8aalpha-octahydro-4abeta-(2H)-isoquinolyl)phenolSCHEMBL1404222CHEMBL2111073DTXSID00208605
Show more names
Phenol, 3-[(4aR,8aR)-2-(cyclopropylmethyl)octahydro-4a(2H)-isoquinolinyl]-m-[(4aR)-[2-(Cyclopropylmethyl)-1,3,4,5,6,7,8,8aα-octahydroisoquinolin]-4aβ(2H)-yl]phenol
Q51212903-[(4aR,8aR)-2-(Cyclopropylmethyl)octahydroisoquinolin-4a(2H)-yl]phenolPHENOL, 3-((4AR,8AR)-2-(CYCLOPROPYLMETHYL)OCTAHYDRO-4A(2H)-ISOQUINOLINYL)-PHENOL, 3-(2-(CYCLOPROPYLMETHYL)OCTAHYDRO-4A(2H)-ISOQUINOLINYL-, TRANS, (-)-(-)-M-(2-(CYCLOPROPYLMETHYL)-1,3,4,5,6,7,8,8A.ALPHA.-OCTAHYDRO-4A.BETA.(2H)-ISOQUINOLYL)PHENOL
Database identifiers
- CAS
59889-36-0
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- FDA UNII
- 6 RFK0CJ8K · L6RFK0CJ8K
Chemistry & industry
Applications
UsesAnalgesic.
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Related reactions
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Compound notes
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