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Manidipine

CAT: 0024-sc-211774Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211774Size:10 mg
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CAS Number
89226-50-6

Chemical Information

Manidipine

Manidipine is a diarylmethane.

CAS Number89226-50-6
PubChem CID4008
IUPAC Name5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC35H38N4O6
Molecular Weight610.7
XLogP5.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1090
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
InChI
InChI=1S/C35H38N4O6/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
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Manidipine
CAS: 89226-50-6
CID: 4008
Formula: C35H38N4O6
MW: 610.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.7
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass610.27913494
Monoisotopic Mass610.27913494
Topological Polar Surface Area117 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B0419-01Manidipine
HY-17403-01Manidipine (dihydrochloride)
TRC-M164015-25MGManidipine Dihydrochloride
RM-M140934-01Manidipine-D4
WGC308134-25mgManidipine 2HCl

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