Paroxol - CAS 105812-81-5
Catalog: |
BB058386 |
Product Name: |
Paroxol |
CAS: |
105812-81-5 |
Synonyms: |
(4R,3S)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol; (3S-trans)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol |
IUPAC Name: | [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol |
Description: | An intermediate in the synthesis of Paroxetine (P205750), a selective serotonin reuptake inhibitor. |
Molecular Weight: | 223.29 |
Molecular Formula: | C13H18FNO |
Canonical SMILES: | CN1CCC(C(C1)CO)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1 |
InChI Key: | CXRHUYYZISIIMT-AAEUAGOBSA-N |
Melting Point: | 97-99°C |
Solubility: | DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly) |
Appearance: | Off-White to Pale Yellow Solid |
Storage: | -20°C |
References: | Dechant, K., et al. Drugs, 41, 225. |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109020872-A | A kind of preparation method of paroxetine hydrochloride key intermediate | 20180626 |
CN-109020872-B | Preparation method of paroxetine hydrochloride key intermediate | 20180626 |
US-2019315691-A1 | An improved process for the preparation of paroxetine and its intermediate | 20150903 |
WO-2017037662-A1 | An improved process for the preparation of paroxetine and its intermediate | 20150903 |
US-10329283-B2 | G protein-coupled receptor kinase inhibitors and methods for use of the same | 20150626 |
US-2018186779-A1 | G protein-coupled receptor kinase inhibitors and methods for use of the same | 20150626 |
EP-3313396-B1 | G protein-coupled receptor kinase inhibitors and methods for use of the same | 20150626 |
CN-104402800-A | Preparation method for trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine | 20141202 |
AU-2008299921-A1 | Synthesis of deuterated catechols and benzo[d][1,3] dioxoles and derivatives thereof | 20070913 |
AU-2008299921-B2 | Synthesis of deuterated catechols and benzo[d][1,3] dioxoles and derivatives thereof | 20070913 |
PMID | Publication Date | Title | Journal |
12818234 | 20030601 | Synthesis of the major metabolites of paroxetine | Bioorganic chemistry |
12012452 | 20020101 | Vibrational circular dichroism spectroscopy study of paroxetine and femoxetine precursors | Biopolymers |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.13724236 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.13724236 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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