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

1. Primary Information

English name: Sparteine sulfate pentahydrate
CAS No.: 6160-12-9
Molecular formula: C15H38N2O9S
Molecular weight: 422.5 g/mol
SMILES: C1CCN2CC3CC(C2C1)CN4C3CCCC4.O.O.O.O.O.OS(=O)(=O)O
Structural class:
Other identifiers:

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2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 20mg HPLC≥98% 256 2-8℃ in stock -
Kehua Intelligence 1g 97% 400 2-8℃ in stock -
Kehua Intelligence 5g 97% 1184 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid;pentahydrate


4.2 InChI

InChI=1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m0....../s1


4.3 InChIKey

WNSDDGBLIALDPB-LIELMIIZSA-N


4.4 Canonical SMILES

C1CCN2CC3CC(C2C1)CN4C3CCCC4.O.O.O.O.O.OS(=O)(=O)O


4.5 Isomeric SMILES

C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4.O.O.O.O.O.OS(=O)(=O)O

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 --