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Vatanidipine

CAT: 1410-M34043-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M34043-02Size:10 mg
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Description
Vatanidipine (AE0047) is a novel dihydropyridine (DHP) -type calcium channel blocker with slow-onset pharmacological actions.A slow-onset and long-lasting hypotensive action was observed in various experimental hypertensive models.
CAS Number
116308-55-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
686.8
Molecular Formula
C41H42N4O6
Notes
Research use only, not for human use.
Receptor
Calcium Channel

Chemical Information

Watanidipine
CAS Number116308-55-5
PubChem CID122073
IUPAC Name5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC41H42N4O6
Molecular Weight686.8
XLogP7.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count51
Formal Charge0
Complexity1250
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C41H42N4O6/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32/h4-20,27,38-39,42H,21-26H2,1-3H3
InChIKey
OTTHUQAYARCXLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Watanidipine
CAS: 116308-55-5
CID: 122073
Formula: C41H42N4O6
MW: 686.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.8
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass686.31043507
Monoisotopic Mass686.31043507
Topological Polar Surface Area117 Ų
Heavy Atom Count51
Formal Charge0
Complexity1250
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
T24932-01Vatanidipine
HY-106832AVatanidipine (hydrochloride)

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