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

1. Primary Information

English name: -
CAS No.: 152520-56-4
Molecular formula: -
Molecular weight: - g/mol
SMILES: -
Structural class:
Other identifiers:

67555, R

alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro)-2H-1-benzopyran-2-methanol

Bystolic

Hydrochloride, Nebivolol

Lobivon

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5mg HPLC≥98% 128 2-8℃ in stock -
Kehua Intelligence 100mg ≥98% 480 RT in stock -
Kehua Intelligence 1g ≥98% 1200 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride


4.2 InChI

InChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m0./s1


4.3 InChIKey

JWEXHQAEWHKGCW-BIISKSHESA-N


4.4 Canonical SMILES

C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O.Cl


4.5 Isomeric SMILES

C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNC[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O.Cl

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

Coming soon

5.2 1H nuclear magnetic resonance (1H NMR)

Coming soon

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 --