Diphenyl(4-quinuclidinyl)methanol - CAS 461648-39-5
Catalog: |
BB026085 |
Product Name: |
Diphenyl(4-quinuclidinyl)methanol |
CAS: |
461648-39-5 |
Synonyms: |
1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol; 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol |
IUPAC Name: | 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol |
Description: | Diphenyl(4-quinuclidinyl)methanol (CAS# 461648-39-5) is a reagent used in the preparation of Umeclidinium Bromide-d5 (U710002) which is considered as a potentially long-acting antimuscarinic agent. |
Molecular Weight: | 293.40 |
Molecular Formula: | C20H23NO |
Canonical SMILES: | C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
InChI: | InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2 |
InChI Key: | VUUAKOZGGDHCRP-UHFFFAOYSA-N |
LogP: | 3.34630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112479983-A | Wumei ammonium bromide intermediate and preparation method thereof | 20201125 |
CN-112645945-A | Preparation method of Wumei ammonium bromide intermediate | 20200611 |
WO-2020254791-A1 | Continuous process for the preparation of anticholinergic drugs | 20190617 |
US-2020368214-A1 | Inhalable formulation of a solution containing vilanterol trifenatate and umeclidinium bromide | 20190523 |
WO-2020237151-A1 | Inhalable formulation of a solution containing vilanterol trifenatate and umeclidinium bromide | 20190523 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.177964357 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.177964357 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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Quinuclidines
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