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SM-2470

CAT: 1410-M35679-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SM-2470 is an α1-adrenoceptor antagonist with antihypertensive activity that decreases anterior ganglionic adrenal nerve activity and aortic descending nerve activity.SM-2470 has hypocholesterolemic activity and inhibits cholesterol absorption.
CAS Number
99899-45-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.97
Molecular Formula
C23H30ClN5O3
Notes
Research use only, not for human use.
Receptor
Adrenergic Receptor

Chemical Information

SM 2470

structure given in first source

CAS Number99899-45-3
PubChem CID127443
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2-bicyclo[2.2.2]oct-5-enyl)methanone;hydrochloride
Molecular FormulaC23H30ClN5O3
Molecular Weight460.0
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity682
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CC5CCC4C=C5)N)OC.Cl
InChI
InChI=1S/C23H29N5O3.ClH/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14;/h3,5,12-16H,4,6-11H2,1-2H3,(H2,24,25,26);1H
InChIKey
IHBVUYHTCGEQHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SM 2470
CAS: 99899-45-3
CID: 127443
Formula: C23H30ClN5O3
MW: 460.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.2037175
Monoisotopic Mass459.2037175
Topological Polar Surface Area93.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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