(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanol - CAS 68496-04-8
Catalog: |
BB033560 |
Product Name: |
(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanol |
CAS: |
68496-04-8 |
Synonyms: |
[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol |
IUPAC Name: | [2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol |
Description: | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanol (CAS# 68496-04-8) is an intermediate in the synthesis of Mefloquine (M207050). |
Molecular Weight: | 372.26 |
Molecular Formula: | C17H10F6N2O |
Canonical SMILES: | C1=CC=NC(=C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O |
InChI: | InChI=1S/C17H10F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8,15,26H |
InChI Key: | LUDFDSXDVJABBT-UHFFFAOYSA-N |
Boiling Point: | 422.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.461 g/cm3 |
LogP: | 4.74910 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020197480-A1 | Combination comprising a particular polymyxin | 20170609 |
WO-2018224843-A1 | Combination comprising a particular polymyxin | 20170609 |
EP-3025714-A1 | Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (pml) | 20070914 |
US-2013183289-A1 | Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (pml) | 20070914 |
US-9233107-B2 | Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (PML) | 20070914 |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.06973192 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.06973192 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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