(R)-(-)-3-Quinuclidinol - CAS 25333-42-0
Catalog: |
BB018862 |
Product Name: |
(R)-(-)-3-Quinuclidinol |
CAS: |
25333-42-0 |
Synonyms: |
(3R)-1-azabicyclo[2.2.2]octan-3-ol; (3R)-1-azabicyclo[2.2.2]octan-3-ol |
IUPAC Name: | (3R)-1-azabicyclo[2.2.2]octan-3-ol |
Description: | A impurity of Solifenacin. Solifenacin is a muscarinic M3 receptor antagoinst for treating contraction of overactive bladder with associated problems such as increased urination frequency and urge incontinence. |
Molecular Weight: | 127.18 |
Molecular Formula: | C7H13NO |
Canonical SMILES: | C1CN2CCC1C(C2)O |
InChI: | InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1 |
InChI Key: | IVLICPVPXWEGCA-ZETCQYMHSA-N |
Boiling Point: | 120 °C (27 mmHg) |
Melting Point: | 221-223 °C |
Purity: | 96 % |
Density: | 1.13 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00211251 |
LogP: | 0.01080 |
GHS Hazard Statement: | H228 (54.55%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P370+P378, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113200979-A | Synthesis process of solifenacin succinate | 20210413 |
CN-112941041-A | Quininone reductase and application thereof in asymmetric synthesis of (R) -3-quininol | 20210218 |
CN-112457307-A | Extraction method of R-quininol | 20201215 |
CN-111454258-A | Preparation method of solifenacin intermediate | 20200528 |
CN-111454258-B | Preparation method of solifenacin intermediate | 20200528 |
PMID | Publication Date | Title | Journal |
23027756 | 20121001 | Expression, purification, crystallization and X-ray analysis of 3-quinuclidinone reductase from Agrobacterium tumefaciens | Acta crystallographica. Section F, Structural biology and crystallization communications |
19653626 | 20090827 | Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide (aclidinium bromide) | Journal of medicinal chemistry |
19234697 | 20090601 | Stereoselective synthesis of (R)-3-quinuclidinol through asymmetric reduction of 3-quinuclidinone with 3-quinuclidinone reductase of Rhodotorula rubra | Applied microbiology and biotechnology |
19478454 | 20090601 | Crystallization and preliminary X-ray analysis of the NADPH-dependent 3-quinuclidinone reductase from Rhodotorula rubra | Acta crystallographica. Section F, Structural biology and crystallization communications |
21202330 | 20080416 | (R)-(-)-3-Hydroxy-quinuclidinium chloride | Acta crystallographica. Section E, Structure reports online |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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