Basic information
- CAS
13104-68-2- Standard SMILES
CCCC1(c2cccc(O)c2)CCN(C)C1- InChIKey
VFUGCQKESINERB-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Overview
was MH 1976-92 (see under PYRROLIDINES 1976-90); use PYRROLIDINES to search PROFADOL 1976-92; a synthetic narcotic that acts like pentazocine, but with a sharp onset & short duration of action; used as an analgesic
Names & identifiers
- Preferred name
- Profadol
- IUPAC
- 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
- English name
- Profadol
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
PROFADOL428-37-5ProfadolumDl-profadolm-(1-Methyl-3-propyl-3-pyrrolidinyl)phenolPhenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-41GDG43FTTCI-572 FREE BASEA-2205 FREE BASERefChem:930013Profadol, (+)-9TM4MXU27E
Show more names
Procimidone3-(1-methyl-3-propylpyrrolidin-3-yl)phenol3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol
Profadol, (-)-3-(m-Hydroxyphenyl)-1-methyl-3-propylpyrrolidineUNII-9TM4MXU27EPyrrolidine, 3-(m-hydroxyphenyl)-1-methyl-3-propyl-89XH4S010SCI 572Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, (+)-Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, (+)-
Database identifiers
- CAS
13104-68-2、13104-69-3、428-37-5- PubChem CID
- 9882
- DTXSID
DTXSID30861924- ChEMBL
CHEMBL161204- UNII
- 41GDG43FTT、89XH4S010S、9TM4MXU27E
- Nikkaji
- J5.727D、J86.615F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- FDA UNII
- 41 GDG43FTT · 41GDG43FTT
Chemistry & industry
Applications
UsesAnalgesic.
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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