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(S) -Azelnidipine

CAT: 0804-HY-167168Size: 1 EachDry Ice: NoHazardous: No
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Description
(S) -Azelnidipine is a calcium channel (Calcium Channel) blocker and the S-isomer of Azelnidipine, with potential for use in cardiovascular disease research[1].
CAS Number
722455-09-6
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/s-azelnidipine.html
Smiles
O=C(OC1CN(C(C2=CC=CC=C2)C3=CC=CC=C3)C1)C4=C(NC(C)=C([C@@H]4C5=CC([N+]([O-])=O)=CC=C5)C(OC(C)C)=O)N
Molecular Formula
C33H34N4O6
Molecular Weight
582.65
References & Citations
[1]Kawabata K, et al. Enantioselective determination of azelnidipine in human plasma using liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Jun 1;852 (1-2) :389-97.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-Azelnidipine
CAS Number722455-09-6
PubChem CID45107611
IUPAC Name3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl (4S)-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@@H](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/t28-/m0/s1
InChIKey
ZKFQEACEUNWPMT-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of (S)-Azelnidipine
CAS: 722455-09-6
CID: 45107611
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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