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

1. Primary Information

English name: Cinepazide maleate
CAS No.: 26328-04-1
Molecular formula: C26H35N3O9
Molecular weight: 533.6 g/mol
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=CC(=O)O)C(=O)O
Structural class:
Other identifiers:

1-((1-pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine

1-((1-pyrrolidynylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate

67350-MD

cinepazide

cinepazide maleate

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 50mg HPLC≥98% 400 2-8℃ in stock -
Kehua Intelligence 50mg 98% 134 2-8℃ in stock -
Kehua Intelligence 100mg 98% 217 2-8℃ in stock -
Kehua Intelligence 1g 98% 768 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(Z)-but-2-enedioic acid;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one


4.2 InChI

InChI=1S/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-


4.3 InChIKey

XSTJTOKYCAJVMJ-GVTSEVKNSA-N


4.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=CC(=O)O)C(=O)O


4.5 Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=C\C(=O)O)\C(=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 --