Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: (2-(4-Methoxyphenyl)quinolin-4-yl)(piperidin-2-yl)methanol dihydrochloride
CAS No.: 858474-14-3
Molecular formula: C22H26Cl2N2O2
Molecular weight: 421.4 g/mol
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O.Cl.Cl
Structural class:
Other identifiers:

(2-(4-methoxyphenyl)-4-quinolinyl)(2-piperidinyl)methanol

NSC 23925

NSC 23925b

NSC-23925

NSC23925

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5mg 99% 880 2-8℃ in stock -
Kehua Intelligence 10mg 99% 1520 2-8℃ in stock -
Kehua Intelligence 25mg 99% 3360 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-2-ylmethanol;dihydrochloride


4.2 InChI

InChI=1S/C22H24N2O2.2ClH/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20;;/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3;2*1H


4.3 InChIKey

WGWOQHWZXLGPNG-UHFFFAOYSA-N


4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O.Cl.Cl


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --