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Azelnidipine 500mg

CAT: 0628-A11219-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A11219-500Size:500 mg
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CAS Number
123524-52-7

Chemical Information

Azelnidipine

Azelnidipine is an isopropyl ester.

CAS Number123524-52-7
PubChem CID65948
IUPAC Name3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC33H34N4O6
Molecular Weight582.6
XLogP6
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1080
SMILES
CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
InChI
InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
InChIKey
ZKFQEACEUNWPMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azelnidipine
CAS: 123524-52-7
CID: 65948
Formula: C33H34N4O6
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass582.24783482
Monoisotopic Mass582.24783482
Topological Polar Surface Area140 Ų
Heavy Atom Count43
Formal Charge0
Complexity1080
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

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