-
Name
Picenadol
- EINECS
- CAS No. 79201-85-7
- Article Data1
- CAS DataBase
- Density 0.979g/cm3
- Solubility
- Melting Point
- Formula C16H25 N O
- Boiling Point 359°C at 760 mmHg
- Molecular Weight 247.381
- Flash Point 155.9°C
- Transport Information
- Appearance
- Safety Poison by ingestion, subcutaneous, intramuscular, and intravenous routes. A centrally acting analgesic. When heated to decomposition it emits toxic fumes of NOx and HCl.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Phenol,3-(1,3-dimethyl-4-propyl-4-piperidinyl)-, trans-(?à)-; (?à)-Picenadol; LY 150720; Phenol, 3-(1,3-dimethyl-4-propyl-4-piperidinyl)-,trans-; Picenadol
- PSA 23.47000
- LogP 3.33960
Picenadol Chemical Properties
Product Name: Picenadol (CAS NO.79201-85-7)
Molecular Formula: C16H25NO
Molecular Weight: 247.3758g/mol
Mol File: 79201-85-7.mol
Boiling point: 359 °C at 760 mmHg
Flash Point: 155.9 °C
Density: 0.979 g/cm3
Surface Tension: 34.1 dyne/cm
Enthalpy of Vaporization: 62.83 kJ/mol
Vapour Pressure: 1.19E-05 mmHg at 25°C
XLogP3-AA: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Picenadol (CAS NO.79201-85-7):
IUPAC Name: 3-[(3R,4S)-1,3-dimethyl-4-propylpiperidin-4-yl]phenol
Canonical SMILES: CCCC1(CCN(CC1C)C)C2=CC(=CC=C2)O
Isomeric SMILES: CCC[C@@]1(CCN(C[C@@H]1C)C)C2=CC(=CC=C2)O
InChI: InChI=1S/C16H25NO/c1-4-8-16(9-10-17(3)12-13(16)2)14-6-5-7-15(18)11-14/h5-7,11,13,18H,4,8-10,12H2,1-3H3/t13-,16-/m0/s1
InChIKey: RTOHPIRUUAKHOZ-BBRMVZONSA-N
Picenadol Uses
Picenadol (CAS NO.79201-85-7) is an effective analgesic with similar efficacy to pethidine (meperidine). It has been investigated for some applications such as obstetrics and dentistry, but never commercialised.
Picenadol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intramuscular | 40mg/kg (40mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Toxicology Letters. Vol. 18(Suppl, |
| dog | LD50 | intramuscular | 80mg/kg (80mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Toxicology Letters. Vol. 18(Suppl, |
| mouse | LD50 | intravenous | 65mg/kg (65mg/kg) | Toxicology Letters. Vol. 18(Suppl, | |
| mouse | LD50 | oral | 305mg/kg (305mg/kg) | Toxicology Letters. Vol. 18(Suppl, | |
| mouse | LD50 | subcutaneous | 172mg/kg (172mg/kg) | Toxicology Letters. Vol. 18(Suppl, | |
| rat | LD50 | intravenous | 67mg/kg (67mg/kg) | Toxicology Letters. Vol. 18(Suppl, | |
| rat | LD50 | oral | 887mg/kg (887mg/kg) | Toxicology Letters. Vol. 18(Suppl, | |
| rat | LD50 | subcutaneous | 333mg/kg (333mg/kg) | Toxicology Letters. Vol. 18(Suppl, |
Picenadol Safety Profile
Poison by ingestion, subcutaneous, intramuscular, and intravenous routes. A centrally acting analgesic. When heated to decomposition it emits toxic fumes of NOx and HCl.
Picenadol Specification
Picenadol ,its CAS NO. is 79201-85-7,the synonyms is (+-)-3-(1,3-Dimethyl-4-propyl-4-piperidinyl)phenol ; Picenadolum ; UNII-TV3535QWTJ ; Phenol, 3-(1,3-dimethyl-4-propyl-4-piperidinyl)-, trans-(+-)- .
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