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

1. Primary Information

English name: Manidipine dihydrochloride
CAS No.: 89226-75-5
Molecular formula: C35H40Cl2N4O6
Molecular weight: 683.6 g/mol
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl
Structural class:
Other identifiers:

(+)-manidipine

(+)-manidipine dihydrochloride

(-)-manidipine

(-)-manidipine dihydrochloride

(R)-(-)-manidipine

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5mg HPLC≥98% 128 -20℃ in stock -
Kehua Intelligence 25mg ≥99% 32 -20℃ in stock -
Kehua Intelligence 100mg ≥99% 72 -20℃ in stock -
Kehua Intelligence 250mg ≥99% 112 -20℃ in stock -
Kehua Intelligence 1g ≥99% 256 -20℃ in stock -
Kehua Intelligence 5g ≥99% 960 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride


4.2 InChI

InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H


4.3 InChIKey

JINNGBXKBDUGQT-UHFFFAOYSA-N


4.4 Canonical SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.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 --