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McN5691

CAT: 0013-GTR19205437-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205437-02Size:2 mg
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Description
McN5691 (RWJ26240) is an antihypertensive agent that functions as a voltage-dependent calcium channel blocker. It is a useful research tool for investigating vascular smooth muscle function and related pathologies, with applications in both in vitro pharmacological assays and in vivo models of hypertension.
CAS Number
99254-95-2
Product Name Alternative
McN5691, McN-5691, MCN 5691, Calcium channel, Calcium Channel, CalciumChannel, RWJ 26240, RWJ26240, RWJ-26240
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.08% (May vary between batches)
Smiles
C (#CC1=CC=C (OC) C=C1CCC (N (C) CCC2=CC=C (OC) C (OC) =C2) C) C=3C=CC=CC3
Molecular Formula
C30H35NO3
Molecular Weight
457.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mcn 5691

structure given in first source

CAS Number99254-95-2
PubChem CID127269
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methylbutan-2-amine
Molecular FormulaC30H35NO3
Molecular Weight457.6
XLogP6.9
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity633
SMILES
CC(CCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)N(C)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C30H35NO3/c1-23(31(2)20-19-25-13-18-29(33-4)30(21-25)34-5)11-14-27-22-28(32-3)17-16-26(27)15-12-24-9-7-6-8-10-24/h6-10,13,16-18,21-23H,11,14,19-20H2,1-5H3
InChIKey
HQDXNTRZJRNPLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcn 5691
CAS: 99254-95-2
CID: 127269
Formula: C30H35NO3
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass457.26169398
Monoisotopic Mass457.26169398
Topological Polar Surface Area30.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity633
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
M33013-01McN5691

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