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YS-201

CAT: 0013-GTR19202910-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202910-02Size:50 mg
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Description
YS-201 is a selective antagonist of L-type calcium channels of the dihydropyridine class. It is a valuable research tool for studying cardiovascular physiology, smooth muscle contraction, and neuronal excitability in both cellular and animal models.
CAS Number
108852-42-2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CCOC (=O) C1=C (C) NC (C) =C (C1c1cccc (c1) [N+] ([O-]) =O) C (=O) OCCN1CCCCC1
Molecular Formula
C24H31N3O6
Molecular Weight
457.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diperdipine

structure given in first source

CAS Number108852-42-2
PubChem CID130588
IUPAC Name3-O-ethyl 5-O-(2-piperidin-1-ylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC24H31N3O6
Molecular Weight457.5
XLogP3.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity810
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCCCC3)C)C
InChI
InChI=1S/C24H31N3O6/c1-4-32-23(28)20-16(2)25-17(3)21(22(20)18-9-8-10-19(15-18)27(30)31)24(29)33-14-13-26-11-6-5-7-12-26/h8-10,15,22,25H,4-7,11-14H2,1-3H3
InChIKey
LBSRZVRITCRLIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diperdipine
CAS: 108852-42-2
CID: 130588
Formula: C24H31N3O6
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass457.22128572
Monoisotopic Mass457.22128572
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity810
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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