(3S)-Aminoquinuclidine Dihydrochloride - CAS 119904-90-4
Catalog: |
BB004681 |
Product Name: |
(3S)-Aminoquinuclidine Dihydrochloride |
CAS: |
119904-90-4 |
Synonyms: |
(S)-quinuclidin-3-amine dihydrochloride; (3S)-1-Azabicyclo[2.2.2]octan-3-amine Hydrochloride (1:2); (3S)-3-Amino-1-azabicyclo[2.2.2]octane Dihydrochloride; (3S)-quinuclidin-3-amine Dihydrochloride; 1-Azabicyclo[2.2.2]octan-3-amine, (3S)-, hydrochloride (1:2) |
Application: |
Palonosetron intermediate. |
Related CAS: | 120570-05-0 (free base)
|
IUPAC Name: | (3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride |
Description: | (3S)-Aminoquinuclidine Dihydrochloride is an intermediate in the synthesis of Palonosetron, which is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). |
Molecular Weight: | 199.12 |
Molecular Formula: | C7H16Cl2N2 |
Canonical SMILES: | C1CN2CCC1C(C2)N.Cl.Cl |
InChI: | InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m1../s1 |
InChI Key: | STZHBULOYDCZET-XCUBXKJBSA-N |
Melting Point: | >200°C (dec.) |
Purity: | ≥95% |
Solubility: | Soluble in Methanol (Slightly), Water (Slightly) |
Appearance: | White to off-white solid |
Storage: | Store at -20°C |
MDL: | MFCD00191753 |
LogP: | 2.28150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3800188-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
WO-2021064077-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
KR-20200064796-A | Method for the preparation of high purity Palonosetron intermediates | 20181129 |
US-10562884-B2 | Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof | 20180605 |
US-10604507-B2 | Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof | 20180605 |
PMID | Publication Date | Title | Journal |
16813416 | 20060710 | Directed synthesis of noncentrosymmetric molybdates using composition space analysis | Inorganic chemistry |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0690539 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0690539 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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