4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride - CAS 1978-61-6
Catalog: |
BB015294 |
Product Name: |
4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride |
CAS: |
1978-61-6 |
Synonyms: |
4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride; 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride |
IUPAC Name: | 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride |
Description: | A reagent in the preparation of 4-phenyl-tetrahydrophenyl substituted oxazolidinone derivatives with potent central nervous depressant, analgetic, and antiinflammatory activities as well as α1A adrenergic receptor antagonists. |
Molecular Weight: | 213.68 |
Molecular Formula: | C11H13ClFN |
Canonical SMILES: | C1CNCC=C1C2=CC=C(C=C2)F.Cl |
InChI: | InChI=1S/C11H12FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H |
InChI Key: | CTTBTYWBXXWBMU-UHFFFAOYSA-N |
Boiling Point: | 264 °C at 760 mmHg |
LogP: | 3.33320 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021086077-A1 | Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease | 20191030 |
KR-102017115-B1 | Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20180515 |
KR-20180056603-A | Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient | 20180515 |
BR-112019011676-A2 | polyadp ribose polymerase (parp) inhibitors | 20161230 |
EP-3562822-A1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0720553 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0720553 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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